[(1R,2S,4R)-2-hydroxy-4-[[5-[5-methyl-4-[(2S)-2-phenyloxolan-2-yl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]cyclopentyl] N-methylsulfamate

C26H30N4O6S2 — CID 150216433

IUPAC[(1R,2S,4R)-2-hydroxy-4-[[5-[5-methyl-4-[(2S)-2-phenyloxolan-2-yl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]cyclopentyl] N-methylsulfamate
SMILESCNS(=O)(=O)O[C@@H]1C[C@H](Nc2ncncc2C(=O)c2cc([C@@]3(c4ccccc4)CCCO3)c(C)s2)C[C@@H]1O
InChIInChI=1S/C26H30N4O6S2/c1-16-20(26(9-6-10-35-26)17-7-4-3-5-8-17)13-23(37-16)24(32)19-14-28-15-29-25(19)30-18-11-21(31)22(12-18)36-38(33,34)27-2/h3-5,7-8,13-15,18,21-22,27,31H,6,9-12H2,1-2H3,(H,28,29,30)/t18-,21+,22-,26+/m1/s1
InChIKeyFSOOYPCUAJTNPU-KGPRRQHISA-N
MW558.68 g/mol
LogP2.92
Rot. Bonds9

About [(1R,2S,4R)-2-hydroxy-4-[[5-[5-methyl-4-[(2S)-2-phenyloxolan-2-yl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]cyclopentyl] N-methylsulfamate

[(1R,2S,4R)-2-hydroxy-4-[[5-[5-methyl-4-[(2S)-2-phenyloxolan-2-yl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]cyclopentyl] N-methylsulfamate (PubChem CID 150216433) has the molecular formula C26H30N4O6S2 and a molecular weight of 558.68 g/mol. Its IUPAC name is [(1R,2S,4R)-2-hydroxy-4-[[5-[5-methyl-4-[(2S)-2-phenyloxolan-2-yl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]cyclopentyl] N-methylsulfamate.

Molecular Properties

Compound Name[(1R,2S,4R)-2-hydroxy-4-[[5-[5-methyl-4-[(2S)-2-phenyloxolan-2-yl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]cyclopentyl] N-methylsulfamate
PubChem CID150216433
Molecular FormulaC26H30N4O6S2
Molecular Weight558.68 g/mol
Exact Mass558.16
IUPAC Name[(1R,2S,4R)-2-hydroxy-4-[[5-[5-methyl-4-[(2S)-2-phenyloxolan-2-yl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]cyclopentyl] N-methylsulfamate
SMILESCNS(=O)(=O)O[C@@H]1C[C@H](Nc2ncncc2C(=O)c2cc([C@@]3(c4ccccc4)CCCO3)c(C)s2)C[C@@H]1O
InChIInChI=1S/C26H30N4O6S2/c1-16-20(26(9-6-10-35-26)17-7-4-3-5-8-17)13-23(37-16)24(32)19-14-28-15-29-25(19)30-18-11-21(31)22(12-18)36-38(33,34)27-2/h3-5,7-8,13-15,18,21-22,27,31H,6,9-12H2,1-2H3,(H,28,29,30)/t18-,21+,22-,26+/m1/s1
InChIKeyFSOOYPCUAJTNPU-KGPRRQHISA-N
XLogP2.92
TPSA139.74 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.68
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze [(1R,2S,4R)-2-hydroxy-4-[[5-[5-methyl-4-[(2S)-2-phenyloxolan-2-yl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]cyclopentyl] N-methylsulfamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,2S,4R)-4-[[5-[4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl] N-methylsulfamate
CID 151898676
[(1R,2S,4R)-2-hydroxy-4-[[5-[5-methyl-4-[(S)-[3-(trifluoromethyl)phenyl]sulfinyl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]cyclopentyl] N-methylsulfamate
CID 150675785
[(1R,2S,4R)-4-[[5-[5-chloro-4-[(S)-(3-chlorophenyl)-hydroxymethyl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl] N-methylsulfamate
CID 172809229
[(1R,2S,4R)-4-[[5-[4-(7-chloroisoquinolin-1-yl)-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl] N-methylsulfamate
CID 172728784
[(1R,2S,4R)-4-[[5-[5-chloro-4-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl] N-methylsulfamate
CID 151496735
[(1R,2S,4R)-4-[[5-[5-chloro-4-[(1S)-6,7-difluoro-3,4-dihydro-1H-isochromen-1-yl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl] N-methylsulfamate
CID 152588188
[(1R,2S,4R)-4-[[5-[4-[(1R)-7-fluoro-3,4-dihydro-1H-isochromen-1-yl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl] N-methylsulfamate
CID 151236426
[(1R,2S,4R)-4-[[5-[4-[(1R)-7-bromo-3,4-dihydro-1H-isochromen-1-yl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl] N-methylsulfamate
CID 151334664
[(1R,2S,4R)-4-[[5-[1-benzyl-5-(hydroxymethyl)pyrazole-3-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl] N-methylsulfamate
CID 151356212
[(1R,2S,4R)-4-[[5-[4-[(2R)-2-(3-chlorophenyl)oxan-2-yl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate
CID 118628973
[(1R,2S,4R)-2-hydroxy-4-[[5-[1-[3-(4-hydroxyoxan-4-yl)prop-2-ynyl]pyrazole-3-carbonyl]pyrimidin-4-yl]amino]cyclopentyl] N-methylsulfamate
CID 150016758
[(1R,2S,4R)-4-[[5-[4-[(R)-(3-chlorophenyl)-(dimethylamino)methyl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl] N-methylsulfamate
CID 151386372

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4R)-2-hydroxy-4-[[5-[5-methyl-4-[(2S)-2-phenyloxolan-2-yl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]cyclopentyl] N-methylsulfamate?
The IUPAC name of [(1R,2S,4R)-2-hydroxy-4-[[5-[5-methyl-4-[(2S)-2-phenyloxolan-2-yl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]cyclopentyl] N-methylsulfamate (CID 150216433) is [(1R,2S,4R)-2-hydroxy-4-[[5-[5-methyl-4-[(2S)-2-phenyloxolan-2-yl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]cyclopentyl] N-methylsulfamate.
What is the SMILES notation for [(1R,2S,4R)-2-hydroxy-4-[[5-[5-methyl-4-[(2S)-2-phenyloxolan-2-yl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]cyclopentyl] N-methylsulfamate?
The canonical SMILES for [(1R,2S,4R)-2-hydroxy-4-[[5-[5-methyl-4-[(2S)-2-phenyloxolan-2-yl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]cyclopentyl] N-methylsulfamate is CNS(=O)(=O)O[C@@H]1C[C@H](Nc2ncncc2C(=O)c2cc([C@@]3(c4ccccc4)CCCO3)c(C)s2)C[C@@H]1O.
What is the InChIKey of [(1R,2S,4R)-2-hydroxy-4-[[5-[5-methyl-4-[(2S)-2-phenyloxolan-2-yl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]cyclopentyl] N-methylsulfamate?
The InChIKey is FSOOYPCUAJTNPU-KGPRRQHISA-N. The full InChI is InChI=1S/C26H30N4O6S2/c1-16-20(26(9-6-10-35-26)17-7-4-3-5-8-17)13-23(37-16)24(32)19-14-28-15-29-25(19)30-18-11-21(31)22(12-18)36-38(33,34)27-2/h3-5,7-8,13-15,18,21-22,27,31H,6,9-12H2,1-2H3,(H,28,29,30)/t18-,21+,22-,26+/m1/s1.
What are the key properties of [(1R,2S,4R)-2-hydroxy-4-[[5-[5-methyl-4-[(2S)-2-phenyloxolan-2-yl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]cyclopentyl] N-methylsulfamate?
[(1R,2S,4R)-2-hydroxy-4-[[5-[5-methyl-4-[(2S)-2-phenyloxolan-2-yl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]cyclopentyl] N-methylsulfamate has a molecular weight of 558.68 g/mol, XLogP of 2.92, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4R)-2-hydroxy-4-[[5-[5-methyl-4-[(2S)-2-phenyloxolan-2-yl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]cyclopentyl] N-methylsulfamate is sourced from PubChem (CID 150216433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).