1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide

C8H13N3O3S — CID 64670233

IUPAC1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide
SMILESCN1CC(NS(=O)(=O)CC#N)CCC1=O
InChIInChI=1S/C8H13N3O3S/c1-11-6-7(2-3-8(11)12)10-15(13,14)5-4-9/h7,10H,2-3,5-6H2,1H3
InChIKeyXDAGIUYMPMEFTF-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.95
Rot. Bonds3

About 1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide

1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide (PubChem CID 64670233) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is 1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide
PubChem CID64670233
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide
SMILESCN1CC(NS(=O)(=O)CC#N)CCC1=O
InChIInChI=1S/C8H13N3O3S/c1-11-6-7(2-3-8(11)12)10-15(13,14)5-4-9/h7,10H,2-3,5-6H2,1H3
InChIKeyXDAGIUYMPMEFTF-UHFFFAOYSA-N
XLogP-0.95
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide
CID 107652065
2-amino-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide
CID 64669398
1-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide
CID 64655698
4-cyano-3-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 106833317
2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyrimidine-5-sulfonamide
CID 64669851
4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 64670246
N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 131898317
1-methyl-5-(propylamino)piperidin-2-one
CID 64655123
2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 64669418
5-(cyclobutylamino)-1-methylpiperidin-2-one
CID 64655743
1-methyl-5-(propan-2-ylamino)piperidin-2-one
CID 64655115
1-methyl-5-(2-methylprop-2-enylamino)piperidin-2-one
CID 64654537

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide?
The IUPAC name of 1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide (CID 64670233) is 1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide.
What is the SMILES notation for 1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide?
The canonical SMILES for 1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide is CN1CC(NS(=O)(=O)CC#N)CCC1=O.
What is the InChIKey of 1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide?
The InChIKey is XDAGIUYMPMEFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-11-6-7(2-3-8(11)12)10-15(13,14)5-4-9/h7,10H,2-3,5-6H2,1H3.
What are the key properties of 1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide?
1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide has a molecular weight of 231.28 g/mol, XLogP of -0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide is sourced from PubChem (CID 64670233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).