4-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylthiophene-2-carboxamide

C16H19N3O3S2 — CID 6503383

IUPAC4-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylthiophene-2-carboxamide
SMILESCC1CCN(S(=O)(=O)c2csc(C(=O)Nc3ccccn3)c2)CC1
InChIInChI=1S/C16H19N3O3S2/c1-12-5-8-19(9-6-12)24(21,22)13-10-14(23-11-13)16(20)18-15-4-2-3-7-17-15/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,17,18,20)
InChIKeyDJHGVUWZTFPGRZ-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.82
Rot. Bonds4

About 4-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylthiophene-2-carboxamide

4-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylthiophene-2-carboxamide (PubChem CID 6503383) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylthiophene-2-carboxamide
PubChem CID6503383
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC Name4-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylthiophene-2-carboxamide
SMILESCC1CCN(S(=O)(=O)c2csc(C(=O)Nc3ccccn3)c2)CC1
InChIInChI=1S/C16H19N3O3S2/c1-12-5-8-19(9-6-12)24(21,22)13-10-14(23-11-13)16(20)18-15-4-2-3-7-17-15/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,17,18,20)
InChIKeyDJHGVUWZTFPGRZ-UHFFFAOYSA-N
XLogP2.82
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide
CID 1326475
4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide
CID 6503399
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
CID 26187503
N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 6503536
2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-pyridin-2-ylacetamide
CID 50794842
2-[[4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]benzoic acid
CID 6503539
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide
CID 51194004
4-methyl-N-pyridin-2-ylpiperidine-1-carboxamide
CID 47266968
N-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 6503538
N-pyridin-3-yl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503342
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 27261158
2-[(4-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid
CID 6503300

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylthiophene-2-carboxamide?
The IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylthiophene-2-carboxamide (CID 6503383) is 4-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylthiophene-2-carboxamide?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylthiophene-2-carboxamide is CC1CCN(S(=O)(=O)c2csc(C(=O)Nc3ccccn3)c2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylthiophene-2-carboxamide?
The InChIKey is DJHGVUWZTFPGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-12-5-8-19(9-6-12)24(21,22)13-10-14(23-11-13)16(20)18-15-4-2-3-7-17-15/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,17,18,20).
What are the key properties of 4-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylthiophene-2-carboxamide?
4-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylthiophene-2-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 6503383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).