N-methyl-N-[2-oxo-2-[(2S)-2-(thiophen-2-ylmethyl)azepan-1-yl]ethyl]methanesulfonamide

C15H24N2O3S2 — CID 97061050

IUPACN-methyl-N-[2-oxo-2-[(2S)-2-(thiophen-2-ylmethyl)azepan-1-yl]ethyl]methanesulfonamide
SMILESCN(CC(=O)N1CCCCC[C@H]1Cc1cccs1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S2/c1-16(22(2,19)20)12-15(18)17-9-5-3-4-7-13(17)11-14-8-6-10-21-14/h6,8,10,13H,3-5,7,9,11-12H2,1-2H3/t13-/m0/s1
InChIKeyFDYSIGQRLOOEKN-ZDUSSCGKSA-N
MW344.50 g/mol
LogP1.95
Rot. Bonds5

About N-methyl-N-[2-oxo-2-[(2S)-2-(thiophen-2-ylmethyl)azepan-1-yl]ethyl]methanesulfonamide

N-methyl-N-[2-oxo-2-[(2S)-2-(thiophen-2-ylmethyl)azepan-1-yl]ethyl]methanesulfonamide (PubChem CID 97061050) has the molecular formula C15H24N2O3S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[(2S)-2-(thiophen-2-ylmethyl)azepan-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[(2S)-2-(thiophen-2-ylmethyl)azepan-1-yl]ethyl]methanesulfonamide
PubChem CID97061050
Molecular FormulaC15H24N2O3S2
Molecular Weight344.50 g/mol
Exact Mass344.12
IUPAC NameN-methyl-N-[2-oxo-2-[(2S)-2-(thiophen-2-ylmethyl)azepan-1-yl]ethyl]methanesulfonamide
SMILESCN(CC(=O)N1CCCCC[C@H]1Cc1cccs1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S2/c1-16(22(2,19)20)12-15(18)17-9-5-3-4-7-13(17)11-14-8-6-10-21-14/h6,8,10,13H,3-5,7,9,11-12H2,1-2H3/t13-/m0/s1
InChIKeyFDYSIGQRLOOEKN-ZDUSSCGKSA-N
XLogP1.95
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[(2S)-2-(thiophen-2-ylmethyl)azepan-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[(2S)-2-(thiophen-2-ylmethyl)azepan-1-yl]ethyl]methanesulfonamide (CID 97061050) is N-methyl-N-[2-oxo-2-[(2S)-2-(thiophen-2-ylmethyl)azepan-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[(2S)-2-(thiophen-2-ylmethyl)azepan-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[(2S)-2-(thiophen-2-ylmethyl)azepan-1-yl]ethyl]methanesulfonamide is CN(CC(=O)N1CCCCC[C@H]1Cc1cccs1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-oxo-2-[(2S)-2-(thiophen-2-ylmethyl)azepan-1-yl]ethyl]methanesulfonamide?
The InChIKey is FDYSIGQRLOOEKN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N2O3S2/c1-16(22(2,19)20)12-15(18)17-9-5-3-4-7-13(17)11-14-8-6-10-21-14/h6,8,10,13H,3-5,7,9,11-12H2,1-2H3/t13-/m0/s1.
What are the key properties of N-methyl-N-[2-oxo-2-[(2S)-2-(thiophen-2-ylmethyl)azepan-1-yl]ethyl]methanesulfonamide?
N-methyl-N-[2-oxo-2-[(2S)-2-(thiophen-2-ylmethyl)azepan-1-yl]ethyl]methanesulfonamide has a molecular weight of 344.50 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[(2S)-2-(thiophen-2-ylmethyl)azepan-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 97061050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).