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

C17H27N3O3S2 — CID 3239787

IUPAC1-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCC(C(=O)NCc3cccs3)CC2)CC1
InChIInChI=1S/C17H27N3O3S2/c1-14-4-8-19(9-5-14)25(22,23)20-10-6-15(7-11-20)17(21)18-13-16-3-2-12-24-16/h2-3,12,14-15H,4-11,13H2,1H3,(H,18,21)
InChIKeyLAFAKNJWRPPOFB-UHFFFAOYSA-N
MW385.56 g/mol
LogP2.05
Rot. Bonds5

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

1-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 3239787) 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-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID3239787
Molecular FormulaC17H27N3O3S2
Molecular Weight385.56 g/mol
Exact Mass385.15
IUPAC Name1-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCC(C(=O)NCc3cccs3)CC2)CC1
InChIInChI=1S/C17H27N3O3S2/c1-14-4-8-19(9-5-14)25(22,23)20-10-6-15(7-11-20)17(21)18-13-16-3-2-12-24-16/h2-3,12,14-15H,4-11,13H2,1H3,(H,18,21)
InChIKeyLAFAKNJWRPPOFB-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 3239787) is 1-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is CC1CCN(S(=O)(=O)N2CCC(C(=O)NCc3cccs3)CC2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is LAFAKNJWRPPOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S2/c1-14-4-8-19(9-5-14)25(22,23)20-10-6-15(7-11-20)17(21)18-13-16-3-2-12-24-16/h2-3,12,14-15H,4-11,13H2,1H3,(H,18,21).
What are the key properties of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-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-4-carboxamide is sourced from PubChem (CID 3239787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).