N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C14H22N4O4S — CID 135097019

IUPACN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C14H22N4O4S/c1-18(2)23(20,21)8-9-6-22-7-12(9)15-14(19)13-10-4-3-5-11(10)16-17-13/h9,12H,3-8H2,1-2H3,(H,15,19)(H,16,17)/t9-,12-/m0/s1
InChIKeyTVJUJKYGNMLJQF-CABZTGNLSA-N
MW342.42 g/mol
LogP-0.47
Rot. Bonds5

About N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 135097019) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID135097019
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC NameN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C14H22N4O4S/c1-18(2)23(20,21)8-9-6-22-7-12(9)15-14(19)13-10-4-3-5-11(10)16-17-13/h9,12H,3-8H2,1-2H3,(H,15,19)(H,16,17)/t9-,12-/m0/s1
InChIKeyTVJUJKYGNMLJQF-CABZTGNLSA-N
XLogP-0.47
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 135096386
N-[2-(dimethylsulfamoyl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 119074036
N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 91829063
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 135115806
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 135115737
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,2-oxazole-3-carboxamide
CID 135120046
3,4-dichloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide
CID 135088948
4-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methylpyrazole-3-carboxamide
CID 135119969
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(hydroxymethyl)benzamide
CID 135089086
N-[(3S,4R)-3-methoxyoxan-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 91786522
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]isoquinoline-1-carboxamide
CID 135120217
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-sulfamoylbenzamide
CID 163312504

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 135097019) is N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1n[nH]c2c1CCC2.
What is the InChIKey of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is TVJUJKYGNMLJQF-CABZTGNLSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-18(2)23(20,21)8-9-6-22-7-12(9)15-14(19)13-10-4-3-5-11(10)16-17-13/h9,12H,3-8H2,1-2H3,(H,15,19)(H,16,17)/t9-,12-/m0/s1.
What are the key properties of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 342.42 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 135097019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).