N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)methanesulfonamide

C15H22N4O3S — CID 22432779

IUPACN-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)methanesulfonamide
SMILESCn1c(=O)n(C)c2cc(N3CCCCC3)c(NS(C)(=O)=O)cc21
InChIInChI=1S/C15H22N4O3S/c1-17-13-9-11(16-23(3,21)22)12(19-7-5-4-6-8-19)10-14(13)18(2)15(17)20/h9-10,16H,4-8H2,1-3H3
InChIKeyQDZFKDUVXPDOAK-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.24
Rot. Bonds3

About N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)methanesulfonamide

N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)methanesulfonamide (PubChem CID 22432779) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)methanesulfonamide
PubChem CID22432779
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC NameN-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)methanesulfonamide
SMILESCn1c(=O)n(C)c2cc(N3CCCCC3)c(NS(C)(=O)=O)cc21
InChIInChI=1S/C15H22N4O3S/c1-17-13-9-11(16-23(3,21)22)12(19-7-5-4-6-8-19)10-14(13)18(2)15(17)20/h9-10,16H,4-8H2,1-3H3
InChIKeyQDZFKDUVXPDOAK-UHFFFAOYSA-N
XLogP1.24
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)methanesulfonamide?
The IUPAC name of N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)methanesulfonamide (CID 22432779) is N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)methanesulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)methanesulfonamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)methanesulfonamide is Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NS(C)(=O)=O)cc21.
What is the InChIKey of N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)methanesulfonamide?
The InChIKey is QDZFKDUVXPDOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-17-13-9-11(16-23(3,21)22)12(19-7-5-4-6-8-19)10-14(13)18(2)15(17)20/h9-10,16H,4-8H2,1-3H3.
What are the key properties of N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)methanesulfonamide?
N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)methanesulfonamide has a molecular weight of 338.43 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)methanesulfonamide is sourced from PubChem (CID 22432779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).