(2S)-2-amino-3-methyl-N-(2-methylsulfanylethyl)pentanamide

C9H20N2OS — CID 63958849

IUPAC(2S)-2-amino-3-methyl-N-(2-methylsulfanylethyl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)NCCSC
InChIInChI=1S/C9H20N2OS/c1-4-7(2)8(10)9(12)11-5-6-13-3/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t7?,8-/m0/s1
InChIKeyVBSUHRSJSGMGCV-MQWKRIRWSA-N
MW204.34 g/mol
LogP0.84
Rot. Bonds6

About (2S)-2-amino-3-methyl-N-(2-methylsulfanylethyl)pentanamide

(2S)-2-amino-3-methyl-N-(2-methylsulfanylethyl)pentanamide (PubChem CID 63958849) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(2-methylsulfanylethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(2-methylsulfanylethyl)pentanamide
PubChem CID63958849
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name(2S)-2-amino-3-methyl-N-(2-methylsulfanylethyl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)NCCSC
InChIInChI=1S/C9H20N2OS/c1-4-7(2)8(10)9(12)11-5-6-13-3/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t7?,8-/m0/s1
InChIKeyVBSUHRSJSGMGCV-MQWKRIRWSA-N
XLogP0.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.84
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

(2S,3S)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpentanamide
CID 103950558
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
N-(2-acetamidoethyl)-2-amino-3-methylpentanamide
CID 43552884
(2S,3S)-2-amino-3-methyl-N-(2-prop-2-enylsulfanylethyl)pentanamide
CID 103833010
(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936
(2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide
CID 87554780
(2S)-2-amino-3-methyl-N-octadecylpentanamide
CID 58604652
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylpentanamide
CID 103812566
(2S)-2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylpentanamide
CID 103833285
2-amino-3-methyl-N-[2-(4-methylphenyl)sulfanylethyl]pentanamide
CID 119691514
2-[[(2S)-2-amino-3-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid
CID 61173943
(2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide
CID 93083392

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(2-methylsulfanylethyl)pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(2-methylsulfanylethyl)pentanamide (CID 63958849) is (2S)-2-amino-3-methyl-N-(2-methylsulfanylethyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(2-methylsulfanylethyl)pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(2-methylsulfanylethyl)pentanamide is CCC(C)[C@H](N)C(=O)NCCSC.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(2-methylsulfanylethyl)pentanamide?
The InChIKey is VBSUHRSJSGMGCV-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-4-7(2)8(10)9(12)11-5-6-13-3/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(2-methylsulfanylethyl)pentanamide?
(2S)-2-amino-3-methyl-N-(2-methylsulfanylethyl)pentanamide has a molecular weight of 204.34 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(2-methylsulfanylethyl)pentanamide is sourced from PubChem (CID 63958849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).