(2S,3S)-2-amino-3-methyl-N-(2-methylsulfonylethyl)pentanamide

C9H20N2O3S — CID 61179210

IUPAC(2S,3S)-2-amino-3-methyl-N-(2-methylsulfonylethyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCCS(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-4-7(2)8(10)9(12)11-5-6-15(3,13)14/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t7-,8-/m0/s1
InChIKeyYYOVCLOUFDKROR-YUMQZZPRSA-N
MW236.34 g/mol
LogP-0.48
Rot. Bonds6

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

(2S,3S)-2-amino-3-methyl-N-(2-methylsulfonylethyl)pentanamide (PubChem CID 61179210) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-(2-methylsulfonylethyl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-(2-methylsulfonylethyl)pentanamide
PubChem CID61179210
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name(2S,3S)-2-amino-3-methyl-N-(2-methylsulfonylethyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCCS(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-4-7(2)8(10)9(12)11-5-6-15(3,13)14/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t7-,8-/m0/s1
InChIKeyYYOVCLOUFDKROR-YUMQZZPRSA-N
XLogP-0.48
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-3-methylpentanoyl)amino]ethanesulfonic acid
CID 23189977
(2S)-2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-methylpentanamide
CID 103833076
2-amino-N-[2-(methanesulfonamido)ethyl]-3-methylpentanamide;hydrochloride
CID 119704356
(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
(2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide
CID 87554780
(2S)-2-amino-3-methyl-N-octadecylpentanamide
CID 58604652
(2S)-2-amino-3-methyl-N-(2-methylsulfanylethyl)pentanamide
CID 63958849
(2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide
CID 93083392
2-amino-3-methyl-N-(2-methylbutyl)pentanamide
CID 62693739
4-[(2-amino-3-methylpentanoyl)amino]-2-methylbutanoic acid
CID 80540178

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-(2-methylsulfonylethyl)pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-(2-methylsulfonylethyl)pentanamide (CID 61179210) is (2S,3S)-2-amino-3-methyl-N-(2-methylsulfonylethyl)pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-(2-methylsulfonylethyl)pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-(2-methylsulfonylethyl)pentanamide is CC[C@H](C)[C@H](N)C(=O)NCCS(C)(=O)=O.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-(2-methylsulfonylethyl)pentanamide?
The InChIKey is YYOVCLOUFDKROR-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-4-7(2)8(10)9(12)11-5-6-15(3,13)14/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-(2-methylsulfonylethyl)pentanamide?
(2S,3S)-2-amino-3-methyl-N-(2-methylsulfonylethyl)pentanamide has a molecular weight of 236.34 g/mol, XLogP of -0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-(2-methylsulfonylethyl)pentanamide is sourced from PubChem (CID 61179210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).