(2S)-2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylpentanamide

C13H28N2OS — CID 103833285

IUPAC(2S)-2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NCC(CC)(CC)SC
InChIInChI=1S/C13H28N2OS/c1-6-10(4)11(14)12(16)15-9-13(7-2,8-3)17-5/h10-11H,6-9,14H2,1-5H3,(H,15,16)/t10?,11-/m0/s1
InChIKeyRPFKMVSDDBRPFP-DTIOYNMSSA-N
MW260.45 g/mol
LogP2.40
Rot. Bonds8

About (2S)-2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylpentanamide

(2S)-2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylpentanamide (PubChem CID 103833285) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylpentanamide
PubChem CID103833285
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC Name(2S)-2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NCC(CC)(CC)SC
InChIInChI=1S/C13H28N2OS/c1-6-10(4)11(14)12(16)15-9-13(7-2,8-3)17-5/h10-11H,6-9,14H2,1-5H3,(H,15,16)/t10?,11-/m0/s1
InChIKeyRPFKMVSDDBRPFP-DTIOYNMSSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylpentanamide
CID 103812566
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylbutanamide
CID 103797840
2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)propanamide
CID 103881656
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
(2S)-2-amino-3-methyl-N-(2-methylsulfanylethyl)pentanamide
CID 63958849
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66175335
(2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide
CID 93083392
2-amino-3-methyl-N-(2-methylbutyl)pentanamide
CID 62693739
N-(2-acetamidoethyl)-2-amino-3-methylpentanamide
CID 43552884
2-amino-3-methyl-N-(5,5,5-trifluoropentyl)pentanamide
CID 113327482
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylacetamide
CID 103797832
2-amino-N-(2,2-difluoroethyl)-3-methylpentanamide
CID 81489680

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylpentanamide (CID 103833285) is (2S)-2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylpentanamide is CCC(C)[C@H](N)C(=O)NCC(CC)(CC)SC.
What is the InChIKey of (2S)-2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylpentanamide?
The InChIKey is RPFKMVSDDBRPFP-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H28N2OS/c1-6-10(4)11(14)12(16)15-9-13(7-2,8-3)17-5/h10-11H,6-9,14H2,1-5H3,(H,15,16)/t10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylpentanamide?
(2S)-2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylpentanamide has a molecular weight of 260.45 g/mol, XLogP of 2.40, 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-(2-ethyl-2-methylsulfanylbutyl)-3-methylpentanamide is sourced from PubChem (CID 103833285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).