[(1S,2S,4R)-2-hydroxy-4-[6-[[(1R,2S)-2-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]pyrimidin-4-yl]oxycyclopentyl] N-methylsulfamate

C23H32N4O6S — CID 150650403

IUPAC[(1S,2S,4R)-2-hydroxy-4-[6-[[(1R,2S)-2-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]pyrimidin-4-yl]oxycyclopentyl] N-methylsulfamate
SMILESCNS(=O)(=O)O[C@H]1C[C@H](Oc2cc(N[C@@H]3c4ccccc4C(C)(C)C[C@@H]3OC)ncn2)C[C@@H]1O
InChIInChI=1S/C23H32N4O6S/c1-23(2)12-19(31-4)22(15-7-5-6-8-16(15)23)27-20-11-21(26-13-25-20)32-14-9-17(28)18(10-14)33-34(29,30)24-3/h5-8,11,13-14,17-19,22,24,28H,9-10,12H2,1-4H3,(H,25,26,27)/t14-,17+,18+,19+,22-/m1/s1
InChIKeyJBTGQBHVZDNJFP-JYTXLUNMSA-N
MW492.60 g/mol
LogP2.08
Rot. Bonds8

About [(1S,2S,4R)-2-hydroxy-4-[6-[[(1R,2S)-2-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]pyrimidin-4-yl]oxycyclopentyl] N-methylsulfamate

[(1S,2S,4R)-2-hydroxy-4-[6-[[(1R,2S)-2-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]pyrimidin-4-yl]oxycyclopentyl] N-methylsulfamate (PubChem CID 150650403) has the molecular formula C23H32N4O6S and a molecular weight of 492.60 g/mol. Its IUPAC name is [(1S,2S,4R)-2-hydroxy-4-[6-[[(1R,2S)-2-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]pyrimidin-4-yl]oxycyclopentyl] N-methylsulfamate.

Molecular Properties

Compound Name[(1S,2S,4R)-2-hydroxy-4-[6-[[(1R,2S)-2-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]pyrimidin-4-yl]oxycyclopentyl] N-methylsulfamate
PubChem CID150650403
Molecular FormulaC23H32N4O6S
Molecular Weight492.60 g/mol
Exact Mass492.20
IUPAC Name[(1S,2S,4R)-2-hydroxy-4-[6-[[(1R,2S)-2-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]pyrimidin-4-yl]oxycyclopentyl] N-methylsulfamate
SMILESCNS(=O)(=O)O[C@H]1C[C@H](Oc2cc(N[C@@H]3c4ccccc4C(C)(C)C[C@@H]3OC)ncn2)C[C@@H]1O
InChIInChI=1S/C23H32N4O6S/c1-23(2)12-19(31-4)22(15-7-5-6-8-16(15)23)27-20-11-21(26-13-25-20)32-14-9-17(28)18(10-14)33-34(29,30)24-3/h5-8,11,13-14,17-19,22,24,28H,9-10,12H2,1-4H3,(H,25,26,27)/t14-,17+,18+,19+,22-/m1/s1
InChIKeyJBTGQBHVZDNJFP-JYTXLUNMSA-N
XLogP2.08
TPSA131.90 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [(1S,2S,4R)-2-hydroxy-4-[6-[[(1R,2S)-2-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]pyrimidin-4-yl]oxycyclopentyl] 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

[(1S,2S,4R)-4-[6-[[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]pyrimidin-4-yl]oxy-2-hydroxycyclopentyl]methyl sulfamate
CID 87157190
(1S,2S,4R)-4-[6-[[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol
CID 123573143
[(1S,2S,4R)-4-[6-[[(1S,2R)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]oxy-2-hydroxycyclopentyl]methyl sulfamate
CID 59671252
[(1S,2S,4R)-4-[6-[[(1R,2S)-5-chloro-2-methoxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]oxy-2-hydroxycyclopentyl]methyl sulfamate
CID 71506753
[(1S,2S,4R)-4-[6-[[(1R,2S)-5-chloro-2-methoxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]oxy-2-hydroxycyclopentyl]methylsulfamic acid
CID 71272568
[(1S,2S,4R)-4-[6-[[(1S,2R)-2-[(dimethylamino)methyl]-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]oxy-2-hydroxycyclopentyl]methyl sulfamate
CID 59671400
[(1S,2S,4R)-2-hydroxy-4-[6-[[(1S,2R)-2-methoxy-2,3-dihydro-1H-inden-1-yl]oxy]pyrimidin-4-yl]oxycyclopentyl]methyl sulfamate
CID 59671244
[(1S,2S,4R)-2-hydroxy-4-[6-[[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]oxy]pyrimidin-4-yl]oxycyclopentyl]methyl sulfamate
CID 59671203
N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-6-methylpyrimidin-4-amine
CID 133386604
[(1S,2S,4R)-2-hydroxy-4-[[6-[[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]amino]cyclopentyl]methylsulfamic acid
CID 71272473
[(1S,3S)-3-[6-[[(1S,2R)-2-[(dimethylamino)methyl]-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]oxycyclopentyl]methyl sulfamate
CID 87160174
N-[6-[(1R,3S,4S)-3-ethyl-4-hydroxycyclopentyl]oxypyrimidin-4-yl]benzamide
CID 159358233

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4R)-2-hydroxy-4-[6-[[(1R,2S)-2-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]pyrimidin-4-yl]oxycyclopentyl] N-methylsulfamate?
The IUPAC name of [(1S,2S,4R)-2-hydroxy-4-[6-[[(1R,2S)-2-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]pyrimidin-4-yl]oxycyclopentyl] N-methylsulfamate (CID 150650403) is [(1S,2S,4R)-2-hydroxy-4-[6-[[(1R,2S)-2-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]pyrimidin-4-yl]oxycyclopentyl] N-methylsulfamate.
What is the SMILES notation for [(1S,2S,4R)-2-hydroxy-4-[6-[[(1R,2S)-2-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]pyrimidin-4-yl]oxycyclopentyl] N-methylsulfamate?
The canonical SMILES for [(1S,2S,4R)-2-hydroxy-4-[6-[[(1R,2S)-2-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]pyrimidin-4-yl]oxycyclopentyl] N-methylsulfamate is CNS(=O)(=O)O[C@H]1C[C@H](Oc2cc(N[C@@H]3c4ccccc4C(C)(C)C[C@@H]3OC)ncn2)C[C@@H]1O.
What is the InChIKey of [(1S,2S,4R)-2-hydroxy-4-[6-[[(1R,2S)-2-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]pyrimidin-4-yl]oxycyclopentyl] N-methylsulfamate?
The InChIKey is JBTGQBHVZDNJFP-JYTXLUNMSA-N. The full InChI is InChI=1S/C23H32N4O6S/c1-23(2)12-19(31-4)22(15-7-5-6-8-16(15)23)27-20-11-21(26-13-25-20)32-14-9-17(28)18(10-14)33-34(29,30)24-3/h5-8,11,13-14,17-19,22,24,28H,9-10,12H2,1-4H3,(H,25,26,27)/t14-,17+,18+,19+,22-/m1/s1.
What are the key properties of [(1S,2S,4R)-2-hydroxy-4-[6-[[(1R,2S)-2-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]pyrimidin-4-yl]oxycyclopentyl] N-methylsulfamate?
[(1S,2S,4R)-2-hydroxy-4-[6-[[(1R,2S)-2-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]pyrimidin-4-yl]oxycyclopentyl] N-methylsulfamate has a molecular weight of 492.60 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4R)-2-hydroxy-4-[6-[[(1R,2S)-2-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]amino]pyrimidin-4-yl]oxycyclopentyl] N-methylsulfamate is sourced from PubChem (CID 150650403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).