1-methylsulfonyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]piperidine-4-carboxamide

C17H21N3O3S2 — CID 91630198

IUPAC1-methylsulfonyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCc2cccnc2-c2ccsc2)CC1
InChIInChI=1S/C17H21N3O3S2/c1-25(22,23)20-8-4-13(5-9-20)17(21)19-11-14-3-2-7-18-16(14)15-6-10-24-12-15/h2-3,6-7,10,12-13H,4-5,8-9,11H2,1H3,(H,19,21)
InChIKeyWVDOXCMBMPBLLG-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.10
Rot. Bonds5

About 1-methylsulfonyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]piperidine-4-carboxamide

1-methylsulfonyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]piperidine-4-carboxamide (PubChem CID 91630198) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
PubChem CID91630198
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC Name1-methylsulfonyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCc2cccnc2-c2ccsc2)CC1
InChIInChI=1S/C17H21N3O3S2/c1-25(22,23)20-8-4-13(5-9-20)17(21)19-11-14-3-2-7-18-16(14)15-6-10-24-12-15/h2-3,6-7,10,12-13H,4-5,8-9,11H2,1H3,(H,19,21)
InChIKeyWVDOXCMBMPBLLG-UHFFFAOYSA-N
XLogP2.10
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 95945588
1-(1,3-benzoxazol-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 121177816
N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 774752
1-methylsulfonyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 110317941
5-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 91630166
4-(dimethylamino)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 121177628
4-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 91630266
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 121177783
1,3,5-trimethyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 91630267
N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 119106274
1-methylsulfonyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973415
1-cyclohexyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide
CID 121177965

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]piperidine-4-carboxamide (CID 91630198) is 1-methylsulfonyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCc2cccnc2-c2ccsc2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]piperidine-4-carboxamide?
The InChIKey is WVDOXCMBMPBLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-25(22,23)20-8-4-13(5-9-20)17(21)19-11-14-3-2-7-18-16(14)15-6-10-24-12-15/h2-3,6-7,10,12-13H,4-5,8-9,11H2,1H3,(H,19,21).
What are the key properties of 1-methylsulfonyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]piperidine-4-carboxamide?
1-methylsulfonyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]piperidine-4-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 91630198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).