N-[2-(azepan-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)methanesulfonamide

C15H23N3O3S — CID 113151644

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCCCC1)Cc1cccnc1
InChIInChI=1S/C15H23N3O3S/c1-22(20,21)18(12-14-7-6-8-16-11-14)13-15(19)17-9-4-2-3-5-10-17/h6-8,11H,2-5,9-10,12-13H2,1H3
InChIKeyYJCKTRUFOKSUIL-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.25
Rot. Bonds5

About N-[2-(azepan-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)methanesulfonamide

N-[2-(azepan-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)methanesulfonamide (PubChem CID 113151644) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
PubChem CID113151644
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCCCC1)Cc1cccnc1
InChIInChI=1S/C15H23N3O3S/c1-22(20,21)18(12-14-7-6-8-16-11-14)13-15(19)17-9-4-2-3-5-10-17/h6-8,11H,2-5,9-10,12-13H2,1H3
InChIKeyYJCKTRUFOKSUIL-UHFFFAOYSA-N
XLogP1.25
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-oxo-2-piperidin-1-ylethyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 113151736
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 113151612
N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 113139886
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113120425
N-[(4-methoxyphenyl)methyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113151239
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 113151747
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113163569
N-[2-(azepan-1-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]methanesulfonamide
CID 113151179
N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide
CID 3381789
1-(1,4-diazepan-1-yl)-2-[N-(pyridin-3-ylmethyl)anilino]ethanone
CID 119418185
N-[4-(dimethylamino)phenyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151704
N-(2-bromophenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151708

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)methanesulfonamide (CID 113151644) is N-[2-(azepan-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCCCCC1)Cc1cccnc1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
The InChIKey is YJCKTRUFOKSUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-22(20,21)18(12-14-7-6-8-16-11-14)13-15(19)17-9-4-2-3-5-10-17/h6-8,11H,2-5,9-10,12-13H2,1H3.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)methanesulfonamide has a molecular weight of 325.43 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 113151644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).