(2R)-2-amino-N,N-dihexyl-4-methylsulfanylbutanamide

C17H36N2OS — CID 104907780

IUPAC(2R)-2-amino-N,N-dihexyl-4-methylsulfanylbutanamide
SMILESCCCCCCN(CCCCCC)C(=O)[C@H](N)CCSC
InChIInChI=1S/C17H36N2OS/c1-4-6-8-10-13-19(14-11-9-7-5-2)17(20)16(18)12-15-21-3/h16H,4-15,18H2,1-3H3/t16-/m1/s1
InChIKeyRNGFKWWBMGFANF-MRXNPFEDSA-N
MW316.56 g/mol
LogP4.06
Rot. Bonds14

About (2R)-2-amino-N,N-dihexyl-4-methylsulfanylbutanamide

(2R)-2-amino-N,N-dihexyl-4-methylsulfanylbutanamide (PubChem CID 104907780) has the molecular formula C17H36N2OS and a molecular weight of 316.56 g/mol. Its IUPAC name is (2R)-2-amino-N,N-dihexyl-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N,N-dihexyl-4-methylsulfanylbutanamide
PubChem CID104907780
Molecular FormulaC17H36N2OS
Molecular Weight316.56 g/mol
Exact Mass316.25
IUPAC Name(2R)-2-amino-N,N-dihexyl-4-methylsulfanylbutanamide
SMILESCCCCCCN(CCCCCC)C(=O)[C@H](N)CCSC
InChIInChI=1S/C17H36N2OS/c1-4-6-8-10-13-19(14-11-9-7-5-2)17(20)16(18)12-15-21-3/h16H,4-15,18H2,1-3H3/t16-/m1/s1
InChIKeyRNGFKWWBMGFANF-MRXNPFEDSA-N
XLogP4.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-N,N-dihexyl-4-methylsulfanylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-4-methylsulfanyl-N,N-dipropylbutanamide
CID 104906715
(2R)-2-amino-N,N-dipentylpentanamide
CID 93372351
(2R)-2-amino-N,N-dibutylpentanamide
CID 103793770
(2R)-2-amino-N,N-dihexyl-4-methylpentanamide
CID 104903090
(2R)-2-amino-4-methylsulfanyl-N-propyl-N-prop-2-ynylbutanamide
CID 104908902
2-amino-N,N-dihexylpropanamide
CID 54872127
(2S)-2-amino-4-methyl-N,N-dipentylpentanamide
CID 61164908
tetradecyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
CID 139632808
(2R)-2-amino-4-methylsulfanyl-N-propan-2-yl-N-propylbutanamide
CID 104906933
2-amino-4-methylsulfanylbutanoic acid;tetrabutylphosphanium
CID 87299364
2-amino-4-methylsulfanylbutanoate;tetrahexylazanium
CID 23277407
(2S)-2-amino-4-methylsulfanylbutanoic acid;octadecanoic acid
CID 88596572

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N,N-dihexyl-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N,N-dihexyl-4-methylsulfanylbutanamide (CID 104907780) is (2R)-2-amino-N,N-dihexyl-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N,N-dihexyl-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N,N-dihexyl-4-methylsulfanylbutanamide is CCCCCCN(CCCCCC)C(=O)[C@H](N)CCSC.
What is the InChIKey of (2R)-2-amino-N,N-dihexyl-4-methylsulfanylbutanamide?
The InChIKey is RNGFKWWBMGFANF-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H36N2OS/c1-4-6-8-10-13-19(14-11-9-7-5-2)17(20)16(18)12-15-21-3/h16H,4-15,18H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-2-amino-N,N-dihexyl-4-methylsulfanylbutanamide?
(2R)-2-amino-N,N-dihexyl-4-methylsulfanylbutanamide has a molecular weight of 316.56 g/mol, XLogP of 4.06, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N,N-dihexyl-4-methylsulfanylbutanamide is sourced from PubChem (CID 104907780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).