(2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylsulfanylbutanamide;hydrochloride

C17H27ClN2OS — CID 119345260

IUPAC(2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCC[C@H](N)C(=O)NCC1(Cc2ccccc2)CCC1.Cl
InChIInChI=1S/C17H26N2OS.ClH/c1-21-11-8-15(18)16(20)19-13-17(9-5-10-17)12-14-6-3-2-4-7-14;/h2-4,6-7,15H,5,8-13,18H2,1H3,(H,19,20);1H/t15-;/m0./s1
InChIKeyYAIKONGTWMGVRF-RSAXXLAASA-N
MW342.94 g/mol
LogP3.02
Rot. Bonds8

About (2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylsulfanylbutanamide;hydrochloride

(2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylsulfanylbutanamide;hydrochloride (PubChem CID 119345260) has the molecular formula C17H27ClN2OS and a molecular weight of 342.94 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylsulfanylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylsulfanylbutanamide;hydrochloride
PubChem CID119345260
Molecular FormulaC17H27ClN2OS
Molecular Weight342.94 g/mol
Exact Mass342.15
IUPAC Name(2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCC[C@H](N)C(=O)NCC1(Cc2ccccc2)CCC1.Cl
InChIInChI=1S/C17H26N2OS.ClH/c1-21-11-8-15(18)16(20)19-13-17(9-5-10-17)12-14-6-3-2-4-7-14;/h2-4,6-7,15H,5,8-13,18H2,1H3,(H,19,20);1H/t15-;/m0./s1
InChIKeyYAIKONGTWMGVRF-RSAXXLAASA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.94
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylpentanamide;hydrochloride
CID 119821689
3-amino-N-[(1-benzylcyclobutyl)methyl]-2-methylbutanamide;hydrochloride
CID 120502353
(2S)-2-amino-N-[[1-(2-methylpropyl)cyclobutyl]methyl]-4-methylsulfanylbutanamide
CID 119326675
N-[(1-benzylcyclopentyl)methyl]-2-hydroxypropanamide
CID 110010083
(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-methylsulfanylbutanamide
CID 119339904
(2S)-2-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119315991
(2S)-2-amino-N-[[1-(4-bromophenyl)cyclopentyl]methyl]-4-methylsulfanylbutanamide
CID 119331509
2-[1-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]cyclobutyl]acetic acid
CID 81164897
1-amino-N-[(1-benzylcyclobutyl)methyl]cyclopentane-1-carboxamide
CID 119345267
(2S)-2-amino-N-(2,2-dimethyl-3-phenylpropyl)-4-methylsulfanylbutanamide
CID 119329650
2-amino-4-methylsulfanyl-N-(2-phenylbutyl)butanamide;hydrochloride
CID 119271728
(2S)-2-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-4-methylsulfanylbutanamide
CID 119304508

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylsulfanylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylsulfanylbutanamide;hydrochloride (CID 119345260) is (2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylsulfanylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylsulfanylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylsulfanylbutanamide;hydrochloride is CSCC[C@H](N)C(=O)NCC1(Cc2ccccc2)CCC1.Cl.
What is the InChIKey of (2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylsulfanylbutanamide;hydrochloride?
The InChIKey is YAIKONGTWMGVRF-RSAXXLAASA-N. The full InChI is InChI=1S/C17H26N2OS.ClH/c1-21-11-8-15(18)16(20)19-13-17(9-5-10-17)12-14-6-3-2-4-7-14;/h2-4,6-7,15H,5,8-13,18H2,1H3,(H,19,20);1H/t15-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylsulfanylbutanamide;hydrochloride?
(2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylsulfanylbutanamide;hydrochloride has a molecular weight of 342.94 g/mol, XLogP of 3.02, 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-benzylcyclobutyl)methyl]-4-methylsulfanylbutanamide;hydrochloride is sourced from PubChem (CID 119345260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).