(2S,3S)-2-amino-3-methyl-N-(2-prop-2-enylsulfanylethyl)pentanamide

C11H22N2OS — CID 103833010

IUPAC(2S,3S)-2-amino-3-methyl-N-(2-prop-2-enylsulfanylethyl)pentanamide
SMILESC=CCSCCNC(=O)[C@@H](N)[C@@H](C)CC
InChIInChI=1S/C11H22N2OS/c1-4-7-15-8-6-13-11(14)10(12)9(3)5-2/h4,9-10H,1,5-8,12H2,2-3H3,(H,13,14)/t9-,10-/m0/s1
InChIKeyRKZAKDVFXXPKPI-UWVGGRQHSA-N
MW230.38 g/mol
LogP1.40
Rot. Bonds8

About (2S,3S)-2-amino-3-methyl-N-(2-prop-2-enylsulfanylethyl)pentanamide

(2S,3S)-2-amino-3-methyl-N-(2-prop-2-enylsulfanylethyl)pentanamide (PubChem CID 103833010) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-(2-prop-2-enylsulfanylethyl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-(2-prop-2-enylsulfanylethyl)pentanamide
PubChem CID103833010
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name(2S,3S)-2-amino-3-methyl-N-(2-prop-2-enylsulfanylethyl)pentanamide
SMILESC=CCSCCNC(=O)[C@@H](N)[C@@H](C)CC
InChIInChI=1S/C11H22N2OS/c1-4-7-15-8-6-13-11(14)10(12)9(3)5-2/h4,9-10H,1,5-8,12H2,2-3H3,(H,13,14)/t9-,10-/m0/s1
InChIKeyRKZAKDVFXXPKPI-UWVGGRQHSA-N
XLogP1.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-methyl-N-(2-methylsulfanylethyl)pentanamide
CID 63958849
(2S,3S)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpentanamide
CID 103950558
N-(2-prop-2-enylsulfanylethyl)-2-sulfanylpropanamide
CID 106433479
2-methyl-3-oxo-3-(2-prop-2-enylsulfanylethylamino)propanoic acid
CID 106433133
3-(ethylamino)-2-methyl-N-(2-prop-2-enylsulfanylethyl)propanamide
CID 106427513
3-methyl-N-(2-prop-2-enylsulfanylethyl)-2-sulfanylbutanamide
CID 106433485
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
N-(2-acetamidoethyl)-2-amino-3-methylpentanamide
CID 43552884
(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936
2-amino-N-(2,2-difluoroethyl)-3-methylpentanamide
CID 81489680
(2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide
CID 87554780
(2S)-2-amino-3-methyl-N-octadecylpentanamide
CID 58604652

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-(2-prop-2-enylsulfanylethyl)pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-(2-prop-2-enylsulfanylethyl)pentanamide (CID 103833010) is (2S,3S)-2-amino-3-methyl-N-(2-prop-2-enylsulfanylethyl)pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-(2-prop-2-enylsulfanylethyl)pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-(2-prop-2-enylsulfanylethyl)pentanamide is C=CCSCCNC(=O)[C@@H](N)[C@@H](C)CC.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-(2-prop-2-enylsulfanylethyl)pentanamide?
The InChIKey is RKZAKDVFXXPKPI-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-4-7-15-8-6-13-11(14)10(12)9(3)5-2/h4,9-10H,1,5-8,12H2,2-3H3,(H,13,14)/t9-,10-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-(2-prop-2-enylsulfanylethyl)pentanamide?
(2S,3S)-2-amino-3-methyl-N-(2-prop-2-enylsulfanylethyl)pentanamide has a molecular weight of 230.38 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-(2-prop-2-enylsulfanylethyl)pentanamide is sourced from PubChem (CID 103833010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).