(2S)-2-amino-N-(1-ethylsulfanylpropan-2-yl)hexanamide

C11H24N2OS — CID 103831790

IUPAC(2S)-2-amino-N-(1-ethylsulfanylpropan-2-yl)hexanamide
SMILESCCCC[C@H](N)C(=O)NC(C)CSCC
InChIInChI=1S/C11H24N2OS/c1-4-6-7-10(12)11(14)13-9(3)8-15-5-2/h9-10H,4-8,12H2,1-3H3,(H,13,14)/t9?,10-/m0/s1
InChIKeyNSDOJHJORPXJRG-AXDSSHIGSA-N
MW232.39 g/mol
LogP1.76
Rot. Bonds8

About (2S)-2-amino-N-(1-ethylsulfanylpropan-2-yl)hexanamide

(2S)-2-amino-N-(1-ethylsulfanylpropan-2-yl)hexanamide (PubChem CID 103831790) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-ethylsulfanylpropan-2-yl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-ethylsulfanylpropan-2-yl)hexanamide
PubChem CID103831790
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name(2S)-2-amino-N-(1-ethylsulfanylpropan-2-yl)hexanamide
SMILESCCCC[C@H](N)C(=O)NC(C)CSCC
InChIInChI=1S/C11H24N2OS/c1-4-6-7-10(12)11(14)13-9(3)8-15-5-2/h9-10H,4-8,12H2,1-3H3,(H,13,14)/t9?,10-/m0/s1
InChIKeyNSDOJHJORPXJRG-AXDSSHIGSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylpentanamide
CID 7021818
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4-methylsulfanylbutanamide
CID 11088924
N-[(3S)-2-oxothiolan-3-yl]hexanamide
CID 50991459
N-[(3S)-2-oxothiolan-3-yl]heptanamide
CID 50991460
(S)-(3-methyloct-1-en-2-yl)cyclopentane
CID 11310499
2,6-Diamino-1-thiazolidin-3-yl-hexan-1-one
CID 44364298
(2R)-N-cyclohexyl-3-methylsulfanyl-2-(propanoylamino)propanamide
CID 145981024
(2R)-2-acetamido-N-cyclohexyl-3-methylsulfanylpropanamide
CID 145990859
(S)-6-amino-2-((S)-2-(2-mercaptoacetamido)-4-(methylthio)butanamido)hexanamide
CID 46882810
L-leucyl-L-methioninamide cation
CID 7021817
(2R)-2-amino-N-hexadecyl-3-methylsulfanylpropanamide
CID 46231530
(S)-6-amino-2-((S)-2-(2-mercaptoacetamido)propanamido)hexanamide
CID 46882113

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-ethylsulfanylpropan-2-yl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(1-ethylsulfanylpropan-2-yl)hexanamide (CID 103831790) is (2S)-2-amino-N-(1-ethylsulfanylpropan-2-yl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-ethylsulfanylpropan-2-yl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(1-ethylsulfanylpropan-2-yl)hexanamide is CCCC[C@H](N)C(=O)NC(C)CSCC.
What is the InChIKey of (2S)-2-amino-N-(1-ethylsulfanylpropan-2-yl)hexanamide?
The InChIKey is NSDOJHJORPXJRG-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-4-6-7-10(12)11(14)13-9(3)8-15-5-2/h9-10H,4-8,12H2,1-3H3,(H,13,14)/t9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-ethylsulfanylpropan-2-yl)hexanamide?
(2S)-2-amino-N-(1-ethylsulfanylpropan-2-yl)hexanamide has a molecular weight of 232.39 g/mol, XLogP of 1.76, 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-(1-ethylsulfanylpropan-2-yl)hexanamide is sourced from PubChem (CID 103831790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).