2-amino-N-(2-hydroxycyclohexyl)-4-methylsulfonylbutanamide

C11H22N2O4S — CID 62359811

IUPAC2-amino-N-(2-hydroxycyclohexyl)-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NC1CCCCC1O
InChIInChI=1S/C11H22N2O4S/c1-18(16,17)7-6-8(12)11(15)13-9-4-2-3-5-10(9)14/h8-10,14H,2-7,12H2,1H3,(H,13,15)
InChIKeyABNCNGOWYIWUGZ-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.83
Rot. Bonds5

About 2-amino-N-(2-hydroxycyclohexyl)-4-methylsulfonylbutanamide

2-amino-N-(2-hydroxycyclohexyl)-4-methylsulfonylbutanamide (PubChem CID 62359811) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxycyclohexyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxycyclohexyl)-4-methylsulfonylbutanamide
PubChem CID62359811
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name2-amino-N-(2-hydroxycyclohexyl)-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NC1CCCCC1O
InChIInChI=1S/C11H22N2O4S/c1-18(16,17)7-6-8(12)11(15)13-9-4-2-3-5-10(9)14/h8-10,14H,2-7,12H2,1H3,(H,13,15)
InChIKeyABNCNGOWYIWUGZ-UHFFFAOYSA-N
XLogP-0.83
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxycyclohexyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(2-hydroxycyclohexyl)-4-methylsulfonylbutanamide (CID 62359811) is 2-amino-N-(2-hydroxycyclohexyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxycyclohexyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(2-hydroxycyclohexyl)-4-methylsulfonylbutanamide is CS(=O)(=O)CCC(N)C(=O)NC1CCCCC1O.
What is the InChIKey of 2-amino-N-(2-hydroxycyclohexyl)-4-methylsulfonylbutanamide?
The InChIKey is ABNCNGOWYIWUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-18(16,17)7-6-8(12)11(15)13-9-4-2-3-5-10(9)14/h8-10,14H,2-7,12H2,1H3,(H,13,15).
What are the key properties of 2-amino-N-(2-hydroxycyclohexyl)-4-methylsulfonylbutanamide?
2-amino-N-(2-hydroxycyclohexyl)-4-methylsulfonylbutanamide has a molecular weight of 278.37 g/mol, XLogP of -0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxycyclohexyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 62359811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).