1-[2-cyanoethyl(methyl)sulfamoyl]-6-methylpiperidine-3-carboxamide

C11H20N4O3S — CID 60539893

IUPAC1-[2-cyanoethyl(methyl)sulfamoyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1S(=O)(=O)N(C)CCC#N
InChIInChI=1S/C11H20N4O3S/c1-9-4-5-10(11(13)16)8-15(9)19(17,18)14(2)7-3-6-12/h9-10H,3-5,7-8H2,1-2H3,(H2,13,16)
InChIKeyMKJQMIUMXBWWHM-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.34
Rot. Bonds5

About 1-[2-cyanoethyl(methyl)sulfamoyl]-6-methylpiperidine-3-carboxamide

1-[2-cyanoethyl(methyl)sulfamoyl]-6-methylpiperidine-3-carboxamide (PubChem CID 60539893) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-[2-cyanoethyl(methyl)sulfamoyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-cyanoethyl(methyl)sulfamoyl]-6-methylpiperidine-3-carboxamide
PubChem CID60539893
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name1-[2-cyanoethyl(methyl)sulfamoyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1S(=O)(=O)N(C)CCC#N
InChIInChI=1S/C11H20N4O3S/c1-9-4-5-10(11(13)16)8-15(9)19(17,18)14(2)7-3-6-12/h9-10H,3-5,7-8H2,1-2H3,(H2,13,16)
InChIKeyMKJQMIUMXBWWHM-UHFFFAOYSA-N
XLogP-0.34
TPSA107.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-cyanoethyl(methyl)sulfamoyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-cyanoethyl(methyl)sulfamoyl]-6-methylpiperidine-3-carboxamide (CID 60539893) is 1-[2-cyanoethyl(methyl)sulfamoyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-cyanoethyl(methyl)sulfamoyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-cyanoethyl(methyl)sulfamoyl]-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1S(=O)(=O)N(C)CCC#N.
What is the InChIKey of 1-[2-cyanoethyl(methyl)sulfamoyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is MKJQMIUMXBWWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-9-4-5-10(11(13)16)8-15(9)19(17,18)14(2)7-3-6-12/h9-10H,3-5,7-8H2,1-2H3,(H2,13,16).
What are the key properties of 1-[2-cyanoethyl(methyl)sulfamoyl]-6-methylpiperidine-3-carboxamide?
1-[2-cyanoethyl(methyl)sulfamoyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 288.37 g/mol, XLogP of -0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyanoethyl(methyl)sulfamoyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 60539893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).