3-amino-N-cyclohexyl-2-hydroxy-5-methylsulfanylpentanamide

C12H24N2O2S — CID 23297944

IUPAC3-amino-N-cyclohexyl-2-hydroxy-5-methylsulfanylpentanamide
SMILESCSCCC(N)C(O)C(=O)NC1CCCCC1
InChIInChI=1S/C12H24N2O2S/c1-17-8-7-10(13)11(15)12(16)14-9-5-3-2-4-6-9/h9-11,15H,2-8,13H2,1H3,(H,14,16)
InChIKeyOKCBSXHTSFKWMB-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.88
Rot. Bonds6

About 3-amino-N-cyclohexyl-2-hydroxy-5-methylsulfanylpentanamide

3-amino-N-cyclohexyl-2-hydroxy-5-methylsulfanylpentanamide (PubChem CID 23297944) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 3-amino-N-cyclohexyl-2-hydroxy-5-methylsulfanylpentanamide.

Molecular Properties

Compound Name3-amino-N-cyclohexyl-2-hydroxy-5-methylsulfanylpentanamide
PubChem CID23297944
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name3-amino-N-cyclohexyl-2-hydroxy-5-methylsulfanylpentanamide
SMILESCSCCC(N)C(O)C(=O)NC1CCCCC1
InChIInChI=1S/C12H24N2O2S/c1-17-8-7-10(13)11(15)12(16)14-9-5-3-2-4-6-9/h9-11,15H,2-8,13H2,1H3,(H,14,16)
InChIKeyOKCBSXHTSFKWMB-UHFFFAOYSA-N
XLogP0.88
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclohexyl-2-hydroxy-5-methylsulfanylpentanamide?
The IUPAC name of 3-amino-N-cyclohexyl-2-hydroxy-5-methylsulfanylpentanamide (CID 23297944) is 3-amino-N-cyclohexyl-2-hydroxy-5-methylsulfanylpentanamide.
What is the SMILES notation for 3-amino-N-cyclohexyl-2-hydroxy-5-methylsulfanylpentanamide?
The canonical SMILES for 3-amino-N-cyclohexyl-2-hydroxy-5-methylsulfanylpentanamide is CSCCC(N)C(O)C(=O)NC1CCCCC1.
What is the InChIKey of 3-amino-N-cyclohexyl-2-hydroxy-5-methylsulfanylpentanamide?
The InChIKey is OKCBSXHTSFKWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-17-8-7-10(13)11(15)12(16)14-9-5-3-2-4-6-9/h9-11,15H,2-8,13H2,1H3,(H,14,16).
What are the key properties of 3-amino-N-cyclohexyl-2-hydroxy-5-methylsulfanylpentanamide?
3-amino-N-cyclohexyl-2-hydroxy-5-methylsulfanylpentanamide has a molecular weight of 260.40 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclohexyl-2-hydroxy-5-methylsulfanylpentanamide is sourced from PubChem (CID 23297944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).