(3S)-3-cyclohexyl-N-methylsulfonylbutanamide

C11H21NO3S — CID 95619108

IUPAC(3S)-3-cyclohexyl-N-methylsulfonylbutanamide
SMILESC[C@@H](CC(=O)NS(C)(=O)=O)C1CCCCC1
InChIInChI=1S/C11H21NO3S/c1-9(10-6-4-3-5-7-10)8-11(13)12-16(2,14)15/h9-10H,3-8H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyOGUKADTVAFLVRJ-VIFPVBQESA-N
MW247.36 g/mol
LogP1.67
Rot. Bonds4

About (3S)-3-cyclohexyl-N-methylsulfonylbutanamide

(3S)-3-cyclohexyl-N-methylsulfonylbutanamide (PubChem CID 95619108) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is (3S)-3-cyclohexyl-N-methylsulfonylbutanamide.

Molecular Properties

Compound Name(3S)-3-cyclohexyl-N-methylsulfonylbutanamide
PubChem CID95619108
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name(3S)-3-cyclohexyl-N-methylsulfonylbutanamide
SMILESC[C@@H](CC(=O)NS(C)(=O)=O)C1CCCCC1
InChIInChI=1S/C11H21NO3S/c1-9(10-6-4-3-5-7-10)8-11(13)12-16(2,14)15/h9-10H,3-8H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyOGUKADTVAFLVRJ-VIFPVBQESA-N
XLogP1.67
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclohexyl-N-methylsulfonylbutanamide?
The IUPAC name of (3S)-3-cyclohexyl-N-methylsulfonylbutanamide (CID 95619108) is (3S)-3-cyclohexyl-N-methylsulfonylbutanamide.
What is the SMILES notation for (3S)-3-cyclohexyl-N-methylsulfonylbutanamide?
The canonical SMILES for (3S)-3-cyclohexyl-N-methylsulfonylbutanamide is C[C@@H](CC(=O)NS(C)(=O)=O)C1CCCCC1.
What is the InChIKey of (3S)-3-cyclohexyl-N-methylsulfonylbutanamide?
The InChIKey is OGUKADTVAFLVRJ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21NO3S/c1-9(10-6-4-3-5-7-10)8-11(13)12-16(2,14)15/h9-10H,3-8H2,1-2H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (3S)-3-cyclohexyl-N-methylsulfonylbutanamide?
(3S)-3-cyclohexyl-N-methylsulfonylbutanamide has a molecular weight of 247.36 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclohexyl-N-methylsulfonylbutanamide is sourced from PubChem (CID 95619108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).