1-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

C17H27N3O3S2 — CID 4124445

IUPAC1-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCCC(C(=O)NCc3cccs3)C2)CC1
InChIInChI=1S/C17H27N3O3S2/c1-14-6-9-19(10-7-14)25(22,23)20-8-2-4-15(13-20)17(21)18-12-16-5-3-11-24-16/h3,5,11,14-15H,2,4,6-10,12-13H2,1H3,(H,18,21)
InChIKeyOHBFVPMCTMEQGO-UHFFFAOYSA-N
MW385.56 g/mol
LogP2.05
Rot. Bonds5

About 1-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

1-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 4124445) has the molecular formula C17H27N3O3S2 and a molecular weight of 385.56 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
PubChem CID4124445
Molecular FormulaC17H27N3O3S2
Molecular Weight385.56 g/mol
Exact Mass385.15
IUPAC Name1-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCCC(C(=O)NCc3cccs3)C2)CC1
InChIInChI=1S/C17H27N3O3S2/c1-14-6-9-19(10-7-14)25(22,23)20-8-2-4-15(13-20)17(21)18-12-16-5-3-11-24-16/h3,5,11,14-15H,2,4,6-10,12-13H2,1H3,(H,18,21)
InChIKeyOHBFVPMCTMEQGO-UHFFFAOYSA-N
XLogP2.05
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-1-[(3-methyl-2-thienyl)methyl]-3-piperidinecarboxamide
CID 2838079
1-[(4-methylpiperidin-1-yl)sulfonyl]-N-(thien-2-ylmethyl)piperidine-4-carboxamide
CID 3239787
1-(ethylsulfonyl)-N-(thien-2-ylmethyl)piperidine-4-carboxamide
CID 3241452
1-(pyrrolidin-1-ylsulfonyl)-N-(thien-2-ylmethyl)piperidine-4-carboxamide
CID 3242699
6-keto-N-[(5-methyl-2-thienyl)methyl]-1-phenethyl-nipecotamide
CID 24790154
N-(thien-2-ylmethyl)-1-(thien-2-ylsulfonyl)piperidine-3-carboxamide
CID 3238367
N-benzyl-1-(thiophen-2-ylsulfonyl)piperidine-3-carboxamide
CID 9550111
N-(1-phenylethyl)-1-(2-thienylsulfonyl)-3-piperidinecarboxamide
CID 5307857
N~1~,N~1~-dimethyl-N~3~-(thien-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 3242124
1-[(Diisobutylamino)sulfonyl]-N~4~-(2-thienylmethyl)-4-piperidinecarboxamide
CID 3243628
1-(methylsulfonyl)-N-(thien-2-ylmethyl)piperidine-3-carboxamide
CID 3244835
3-N-methyl-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 45797441

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (CID 4124445) is 1-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is CC1CCN(S(=O)(=O)N2CCCC(C(=O)NCc3cccs3)C2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is OHBFVPMCTMEQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S2/c1-14-6-9-19(10-7-14)25(22,23)20-8-2-4-15(13-20)17(21)18-12-16-5-3-11-24-16/h3,5,11,14-15H,2,4,6-10,12-13H2,1H3,(H,18,21).
What are the key properties of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
1-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 385.56 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 4124445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).