(2S)-2-amino-N-(4-methylpentyl)-4-methylsulfanylbutanamide

C11H24N2OS — CID 61158173

IUPAC(2S)-2-amino-N-(4-methylpentyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NCCCC(C)C
InChIInChI=1S/C11H24N2OS/c1-9(2)5-4-7-13-11(14)10(12)6-8-15-3/h9-10H,4-8,12H2,1-3H3,(H,13,14)/t10-/m0/s1
InChIKeyYXZGAMSOWZFSCI-JTQLQIEISA-N
MW232.39 g/mol
LogP1.62
Rot. Bonds8

About (2S)-2-amino-N-(4-methylpentyl)-4-methylsulfanylbutanamide

(2S)-2-amino-N-(4-methylpentyl)-4-methylsulfanylbutanamide (PubChem CID 61158173) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-methylpentyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-methylpentyl)-4-methylsulfanylbutanamide
PubChem CID61158173
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name(2S)-2-amino-N-(4-methylpentyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NCCCC(C)C
InChIInChI=1S/C11H24N2OS/c1-9(2)5-4-7-13-11(14)10(12)6-8-15-3/h9-10H,4-8,12H2,1-3H3,(H,13,14)/t10-/m0/s1
InChIKeyYXZGAMSOWZFSCI-JTQLQIEISA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-(7-methyloctyl)-4-methylsulfanylbutanamide
CID 104908132
(2S)-2-amino-4-methylsulfanyl-N-(6-methylsulfanylhexyl)butanamide
CID 114125345
(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512
4-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]butanoic acid
CID 104907974
(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide
CID 61253857
(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119262982
(2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfanylbutyl)butanamide
CID 103796215
(2S)-2-amino-N-[2-(carbamoylamino)ethyl]-4-methylsulfanylbutanamide
CID 81432984
(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide
CID 61158361
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-4-methylsulfanylbutanamide
CID 96904293
(2R)-2-amino-4-methylsulfanyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104909037
(2S)-2-amino-N-(4-ethoxybutyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119288799

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-methylpentyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-(4-methylpentyl)-4-methylsulfanylbutanamide (CID 61158173) is (2S)-2-amino-N-(4-methylpentyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-methylpentyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(4-methylpentyl)-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)NCCCC(C)C.
What is the InChIKey of (2S)-2-amino-N-(4-methylpentyl)-4-methylsulfanylbutanamide?
The InChIKey is YXZGAMSOWZFSCI-JTQLQIEISA-N. The full InChI is InChI=1S/C11H24N2OS/c1-9(2)5-4-7-13-11(14)10(12)6-8-15-3/h9-10H,4-8,12H2,1-3H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-methylpentyl)-4-methylsulfanylbutanamide?
(2S)-2-amino-N-(4-methylpentyl)-4-methylsulfanylbutanamide has a molecular weight of 232.39 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-methylpentyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 61158173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).