1-(5-cyanothiophen-2-yl)sulfonyl-6-methylpiperidine-3-carboxamide

C12H15N3O3S2 — CID 106267798

IUPAC1-(5-cyanothiophen-2-yl)sulfonyl-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C12H15N3O3S2/c1-8-2-3-9(12(14)16)7-15(8)20(17,18)11-5-4-10(6-13)19-11/h4-5,8-9H,2-3,7H2,1H3,(H2,14,16)
InChIKeyLHRBFRUYEARWMO-UHFFFAOYSA-N
MW313.40 g/mol
LogP0.89
Rot. Bonds3

About 1-(5-cyanothiophen-2-yl)sulfonyl-6-methylpiperidine-3-carboxamide

1-(5-cyanothiophen-2-yl)sulfonyl-6-methylpiperidine-3-carboxamide (PubChem CID 106267798) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(5-cyanothiophen-2-yl)sulfonyl-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-cyanothiophen-2-yl)sulfonyl-6-methylpiperidine-3-carboxamide
PubChem CID106267798
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC Name1-(5-cyanothiophen-2-yl)sulfonyl-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C12H15N3O3S2/c1-8-2-3-9(12(14)16)7-15(8)20(17,18)11-5-4-10(6-13)19-11/h4-5,8-9H,2-3,7H2,1H3,(H2,14,16)
InChIKeyLHRBFRUYEARWMO-UHFFFAOYSA-N
XLogP0.89
TPSA104.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(aminomethyl)thiophen-2-yl]sulfonyl-6-methylpiperidine-3-carboxamide
CID 106266279
1-(5-cyanothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid
CID 114165885
(3R,6R)-6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95663554
5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophene-2-carbonitrile
CID 106273020
(3R,6R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-6-methylpiperidine-3-carboxamide
CID 129419068
1-(cyanomethylsulfonyl)-6-methylpiperidine-3-carboxamide
CID 55207510
5-(3,5-dimethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 114166105
5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 106266846
6-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide
CID 47268283
1-(5-cyanothiophen-2-yl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid
CID 106265376
5-(2,3-dimethylthiomorpholin-4-yl)sulfonylthiophene-2-carbonitrile
CID 106269142
5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylthiophene-2-carbonitrile
CID 114166904

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyanothiophen-2-yl)sulfonyl-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(5-cyanothiophen-2-yl)sulfonyl-6-methylpiperidine-3-carboxamide (CID 106267798) is 1-(5-cyanothiophen-2-yl)sulfonyl-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(5-cyanothiophen-2-yl)sulfonyl-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(5-cyanothiophen-2-yl)sulfonyl-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1S(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 1-(5-cyanothiophen-2-yl)sulfonyl-6-methylpiperidine-3-carboxamide?
The InChIKey is LHRBFRUYEARWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c1-8-2-3-9(12(14)16)7-15(8)20(17,18)11-5-4-10(6-13)19-11/h4-5,8-9H,2-3,7H2,1H3,(H2,14,16).
What are the key properties of 1-(5-cyanothiophen-2-yl)sulfonyl-6-methylpiperidine-3-carboxamide?
1-(5-cyanothiophen-2-yl)sulfonyl-6-methylpiperidine-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyanothiophen-2-yl)sulfonyl-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 106267798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).