1-(cyanomethylsulfonyl)-6-methylpiperidine-3-carboxamide

C9H15N3O3S — CID 55207510

IUPAC1-(cyanomethylsulfonyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1S(=O)(=O)CC#N
InChIInChI=1S/C9H15N3O3S/c1-7-2-3-8(9(11)13)6-12(7)16(14,15)5-4-10/h7-8H,2-3,5-6H2,1H3,(H2,11,13)
InChIKeyBKOVINBFXCGEEW-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.57
Rot. Bonds3

About 1-(cyanomethylsulfonyl)-6-methylpiperidine-3-carboxamide

1-(cyanomethylsulfonyl)-6-methylpiperidine-3-carboxamide (PubChem CID 55207510) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-(cyanomethylsulfonyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyanomethylsulfonyl)-6-methylpiperidine-3-carboxamide
PubChem CID55207510
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name1-(cyanomethylsulfonyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1S(=O)(=O)CC#N
InChIInChI=1S/C9H15N3O3S/c1-7-2-3-8(9(11)13)6-12(7)16(14,15)5-4-10/h7-8H,2-3,5-6H2,1H3,(H2,11,13)
InChIKeyBKOVINBFXCGEEW-UHFFFAOYSA-N
XLogP-0.57
TPSA104.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminopropylsulfonyl)-6-methylpiperidine-3-carboxamide
CID 54988855
1-[2-cyanoethyl(methyl)sulfamoyl]-6-methylpiperidine-3-carboxamide
CID 60539893
1-(5-cyanothiophen-2-yl)sulfonyl-6-methylpiperidine-3-carboxamide
CID 106267798
(3R,6R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-6-methylpiperidine-3-carboxamide
CID 95579009
1-but-3-enylsulfonyl-6-methylpiperidine-3-carboxylic acid
CID 122104288
1-[5-(aminomethyl)thiophen-2-yl]sulfonyl-6-methylpiperidine-3-carboxamide
CID 106266279
(3R,6R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-6-methylpiperidine-3-carboxamide
CID 129419068
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-methylpiperidine-3-carboxamide
CID 47319650
6-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide
CID 47268283
1-(2-ethylbutylsulfonyl)-6-methylpiperidine-3-carboxylic acid
CID 122104291
1-(3-fluoropropylsulfonyl)-6-methylpiperidine-3-carboxylic acid
CID 122104299
1-(3,3-dimethylbutylsulfonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083362

Frequently Asked Questions

What is the IUPAC name of 1-(cyanomethylsulfonyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(cyanomethylsulfonyl)-6-methylpiperidine-3-carboxamide (CID 55207510) is 1-(cyanomethylsulfonyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(cyanomethylsulfonyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(cyanomethylsulfonyl)-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1S(=O)(=O)CC#N.
What is the InChIKey of 1-(cyanomethylsulfonyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is BKOVINBFXCGEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-7-2-3-8(9(11)13)6-12(7)16(14,15)5-4-10/h7-8H,2-3,5-6H2,1H3,(H2,11,13).
What are the key properties of 1-(cyanomethylsulfonyl)-6-methylpiperidine-3-carboxamide?
1-(cyanomethylsulfonyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 245.30 g/mol, XLogP of -0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyanomethylsulfonyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 55207510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).