(2S)-2-amino-N-(1-methylcyclopropyl)-4-methylsulfanylbutanamide

C9H18N2OS — CID 103833144

IUPAC(2S)-2-amino-N-(1-methylcyclopropyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NC1(C)CC1
InChIInChI=1S/C9H18N2OS/c1-9(4-5-9)11-8(12)7(10)3-6-13-2/h7H,3-6,10H2,1-2H3,(H,11,12)/t7-/m0/s1
InChIKeyADLVWHTZVUVVMP-ZETCQYMHSA-N
MW202.32 g/mol
LogP0.74
Rot. Bonds5

About (2S)-2-amino-N-(1-methylcyclopropyl)-4-methylsulfanylbutanamide

(2S)-2-amino-N-(1-methylcyclopropyl)-4-methylsulfanylbutanamide (PubChem CID 103833144) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-methylcyclopropyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-methylcyclopropyl)-4-methylsulfanylbutanamide
PubChem CID103833144
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name(2S)-2-amino-N-(1-methylcyclopropyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NC1(C)CC1
InChIInChI=1S/C9H18N2OS/c1-9(4-5-9)11-8(12)7(10)3-6-13-2/h7H,3-6,10H2,1-2H3,(H,11,12)/t7-/m0/s1
InChIKeyADLVWHTZVUVVMP-ZETCQYMHSA-N
XLogP0.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-methylcyclopropyl)pentanamide
CID 115734282
1-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]cycloheptane-1-carboxylic acid
CID 104908015
2-[1-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]cyclopentyl]acetic acid
CID 64702104
(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512
2-amino-N-hydroxy-4-methylsulfanylbutanamide;hydrochloride
CID 87530289
(2S)-2-amino-N-(1-methylcyclobutyl)hexanamide
CID 103950943
(2S)-2-amino-4-methylsulfanyl-N-[(2R)-1-oxo-1-[(1,2,2,3-tetramethylcyclopentyl)amino]propan-2-yl]butanamide
CID 154409288
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-4-methylsulfanylbutanamide
CID 96904293
(2S)-2-amino-N-[[1-(2-methylpropyl)cyclobutyl]methyl]-4-methylsulfanylbutanamide
CID 119326675
(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-4-methylsulfanylbutanamide
CID 104908942
(2R)-2-amino-4-methylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 104908109
(2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfanylbutyl)butanamide
CID 103796215

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-methylcyclopropyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-(1-methylcyclopropyl)-4-methylsulfanylbutanamide (CID 103833144) is (2S)-2-amino-N-(1-methylcyclopropyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-methylcyclopropyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(1-methylcyclopropyl)-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)NC1(C)CC1.
What is the InChIKey of (2S)-2-amino-N-(1-methylcyclopropyl)-4-methylsulfanylbutanamide?
The InChIKey is ADLVWHTZVUVVMP-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-9(4-5-9)11-8(12)7(10)3-6-13-2/h7H,3-6,10H2,1-2H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-methylcyclopropyl)-4-methylsulfanylbutanamide?
(2S)-2-amino-N-(1-methylcyclopropyl)-4-methylsulfanylbutanamide has a molecular weight of 202.32 g/mol, XLogP of 0.74, 5 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-methylcyclopropyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 103833144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).