(2R)-2-amino-N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutanamide

C13H26N2O2S — CID 104908500

IUPAC(2R)-2-amino-N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NCCOC1CCCCC1
InChIInChI=1S/C13H26N2O2S/c1-18-10-7-12(14)13(16)15-8-9-17-11-5-3-2-4-6-11/h11-12H,2-10,14H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeySZKFVVWQOIPOKY-GFCCVEGCSA-N
MW274.43 g/mol
LogP1.53
Rot. Bonds8

About (2R)-2-amino-N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutanamide

(2R)-2-amino-N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutanamide (PubChem CID 104908500) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutanamide
PubChem CID104908500
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name(2R)-2-amino-N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NCCOC1CCCCC1
InChIInChI=1S/C13H26N2O2S/c1-18-10-7-12(14)13(16)15-8-9-17-11-5-3-2-4-6-11/h11-12H,2-10,14H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeySZKFVVWQOIPOKY-GFCCVEGCSA-N
XLogP1.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-(2-cyclohexyloxyethyl)pentanamide
CID 98582827
2-amino-N-(2-cyclopentyloxyethyl)pentanamide
CID 63827048
(2R)-2-amino-N-(2-cyclopentyloxyethyl)pentanamide
CID 103795665
(2S)-2-amino-N-(2-cyclopentyloxyethyl)hexanamide
CID 98585845
(2S)-2-amino-N-(2-cyclohexylethyl)-4-methylsulfanylbutanamide
CID 61178313
(2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride
CID 119325372
cyclohexyl (2R)-2-amino-4-methylsulfanylbutanoate
CID 104909691
(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide
CID 104906920
cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 54480153
(2S)-2-amino-N-(cyclobutylmethyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119289805
3-amino-N-(2-cyclohexyloxyethyl)butanamide
CID 63828834
(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutanamide (CID 104908500) is (2R)-2-amino-N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutanamide is CSCC[C@@H](N)C(=O)NCCOC1CCCCC1.
What is the InChIKey of (2R)-2-amino-N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutanamide?
The InChIKey is SZKFVVWQOIPOKY-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-18-10-7-12(14)13(16)15-8-9-17-11-5-3-2-4-6-11/h11-12H,2-10,14H2,1H3,(H,15,16)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutanamide?
(2R)-2-amino-N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutanamide has a molecular weight of 274.43 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 104908500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).