1-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide

C18H30N4O3S — CID 119535688

IUPAC1-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide
SMILESCC1CCCN(S(=O)(=O)c2cc(C(=O)NCCC3CCNC3)n(C)c2)C1
InChIInChI=1S/C18H30N4O3S/c1-14-4-3-9-22(12-14)26(24,25)16-10-17(21(2)13-16)18(23)20-8-6-15-5-7-19-11-15/h10,13-15,19H,3-9,11-12H2,1-2H3,(H,20,23)
InChIKeyOIBANONWIDMTKP-UHFFFAOYSA-N
MW382.53 g/mol
LogP1.18
Rot. Bonds6

About 1-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide

1-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide (PubChem CID 119535688) has the molecular formula C18H30N4O3S and a molecular weight of 382.53 g/mol. Its IUPAC name is 1-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide
PubChem CID119535688
Molecular FormulaC18H30N4O3S
Molecular Weight382.53 g/mol
Exact Mass382.20
IUPAC Name1-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide
SMILESCC1CCCN(S(=O)(=O)c2cc(C(=O)NCCC3CCNC3)n(C)c2)C1
InChIInChI=1S/C18H30N4O3S/c1-14-4-3-9-22(12-14)26(24,25)16-10-17(21(2)13-16)18(23)20-8-6-15-5-7-19-11-15/h10,13-15,19H,3-9,11-12H2,1-2H3,(H,20,23)
InChIKeyOIBANONWIDMTKP-UHFFFAOYSA-N
XLogP1.18
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-(2-piperidin-3-ylethyl)-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 119555768
1-methyl-N-[2-(methylamino)propyl]-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 120827627
1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 16780683
1-methyl-4-piperidin-1-ylsulfonyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 119450319
4-acetyl-1-methyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride
CID 119534734
4-bromo-1-methyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide
CID 55249969
N-(3,5-dimethylphenyl)-1-methyl-4-[(3S)-3-methylpiperidin-1-yl]sulfonylpyrrole-2-carboxamide
CID 95074371
N-(2-ethylphenyl)-1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 53087291
[1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-(3-methylpiperazin-1-yl)methanone
CID 119578457
1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide
CID 119535630
[1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578456
4-(3-aminopiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
CID 43605489

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide (CID 119535688) is 1-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide is CC1CCCN(S(=O)(=O)c2cc(C(=O)NCCC3CCNC3)n(C)c2)C1.
What is the InChIKey of 1-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide?
The InChIKey is OIBANONWIDMTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3S/c1-14-4-3-9-22(12-14)26(24,25)16-10-17(21(2)13-16)18(23)20-8-6-15-5-7-19-11-15/h10,13-15,19H,3-9,11-12H2,1-2H3,(H,20,23).
What are the key properties of 1-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide?
1-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 119535688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).