1-(4,5-dimethylthiophen-2-yl)sulfonyl-N-methylpyrrolidine-3-carboxamide

C12H18N2O3S2 — CID 136548371

IUPAC1-(4,5-dimethylthiophen-2-yl)sulfonyl-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(S(=O)(=O)c2cc(C)c(C)s2)C1
InChIInChI=1S/C12H18N2O3S2/c1-8-6-11(18-9(8)2)19(16,17)14-5-4-10(7-14)12(15)13-3/h6,10H,4-5,7H2,1-3H3,(H,13,15)
InChIKeyZUBGMSPOTRCUEA-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.12
Rot. Bonds3

About 1-(4,5-dimethylthiophen-2-yl)sulfonyl-N-methylpyrrolidine-3-carboxamide

1-(4,5-dimethylthiophen-2-yl)sulfonyl-N-methylpyrrolidine-3-carboxamide (PubChem CID 136548371) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophen-2-yl)sulfonyl-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4,5-dimethylthiophen-2-yl)sulfonyl-N-methylpyrrolidine-3-carboxamide
PubChem CID136548371
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC Name1-(4,5-dimethylthiophen-2-yl)sulfonyl-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(S(=O)(=O)c2cc(C)c(C)s2)C1
InChIInChI=1S/C12H18N2O3S2/c1-8-6-11(18-9(8)2)19(16,17)14-5-4-10(7-14)12(15)13-3/h6,10H,4-5,7H2,1-3H3,(H,13,15)
InChIKeyZUBGMSPOTRCUEA-UHFFFAOYSA-N
XLogP1.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4,5-dimethylthiophen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 86784611
1-(4-aminothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 61299196
5-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61027124
2-[1-(4,5-dimethylthiophen-2-yl)sulfonylpiperidin-4-yl]-2-methoxyacetic acid
CID 166292077
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 79926328
1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylic acid
CID 79988524
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
(1R)-1-[(2R)-4-(4,5-dimethylthiophen-2-yl)sulfonylmorpholin-2-yl]ethanamine
CID 99852857
[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]methanol
CID 103100198
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol
CID 103896891
(3S)-1-(5-bromo-2-methylthiophen-3-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 124517195

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophen-2-yl)sulfonyl-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(4,5-dimethylthiophen-2-yl)sulfonyl-N-methylpyrrolidine-3-carboxamide (CID 136548371) is 1-(4,5-dimethylthiophen-2-yl)sulfonyl-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4,5-dimethylthiophen-2-yl)sulfonyl-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4,5-dimethylthiophen-2-yl)sulfonyl-N-methylpyrrolidine-3-carboxamide is CNC(=O)C1CCN(S(=O)(=O)c2cc(C)c(C)s2)C1.
What is the InChIKey of 1-(4,5-dimethylthiophen-2-yl)sulfonyl-N-methylpyrrolidine-3-carboxamide?
The InChIKey is ZUBGMSPOTRCUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c1-8-6-11(18-9(8)2)19(16,17)14-5-4-10(7-14)12(15)13-3/h6,10H,4-5,7H2,1-3H3,(H,13,15).
What are the key properties of 1-(4,5-dimethylthiophen-2-yl)sulfonyl-N-methylpyrrolidine-3-carboxamide?
1-(4,5-dimethylthiophen-2-yl)sulfonyl-N-methylpyrrolidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophen-2-yl)sulfonyl-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 136548371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).