N-(1-cyanocyclohexyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

C17H24N4O3S — CID 99167779

IUPACN-(1-cyanocyclohexyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C17H24N4O3S/c1-20-12-14(25(23,24)21-9-5-6-10-21)11-15(20)16(22)19-17(13-18)7-3-2-4-8-17/h11-12H,2-10H2,1H3,(H,19,22)
InChIKeyQGDKHBCSMGLFSU-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.77
Rot. Bonds4

About N-(1-cyanocyclohexyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

N-(1-cyanocyclohexyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 99167779) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID99167779
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC NameN-(1-cyanocyclohexyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C17H24N4O3S/c1-20-12-14(25(23,24)21-9-5-6-10-21)11-15(20)16(22)19-17(13-18)7-3-2-4-8-17/h11-12H,2-10H2,1H3,(H,19,22)
InChIKeyQGDKHBCSMGLFSU-UHFFFAOYSA-N
XLogP1.77
TPSA95.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride
CID 119565471
N-tert-butyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 20969680
N-(3,5-dichlorophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55631483
3-methyl-2-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]butanoic acid
CID 119170435
N-(3-acetamidophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46409717
N-benzyl-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46422728
1-methyl-4-piperidin-1-ylsulfonyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 119450319
1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
CID 55919434
4-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230351
N-(4-chlorophenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 17399030
1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrrole-2-carboxamide
CID 55737275
4-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-1-methylpyrrole-2-carboxamide
CID 53087324

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-(1-cyanocyclohexyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (CID 99167779) is N-(1-cyanocyclohexyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)NC1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is QGDKHBCSMGLFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-20-12-14(25(23,24)21-9-5-6-10-21)11-15(20)16(22)19-17(13-18)7-3-2-4-8-17/h11-12H,2-10H2,1H3,(H,19,22).
What are the key properties of N-(1-cyanocyclohexyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
N-(1-cyanocyclohexyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 99167779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).