2-amino-4-methylsulfanyl-N-naphthalen-2-ylbutanamide;hydrochloride

C15H19ClN2OS — CID 18408186

IUPAC2-amino-4-methylsulfanyl-N-naphthalen-2-ylbutanamide;hydrochloride
SMILESCSCCC(N)C(=O)Nc1ccc2ccccc2c1.Cl
InChIInChI=1S/C15H18N2OS.ClH/c1-19-9-8-14(16)15(18)17-13-7-6-11-4-2-3-5-12(11)10-13;/h2-7,10,14H,8-9,16H2,1H3,(H,17,18);1H
InChIKeyIYGBYYCUSXBVCW-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.28
Rot. Bonds5

About 2-amino-4-methylsulfanyl-N-naphthalen-2-ylbutanamide;hydrochloride

2-amino-4-methylsulfanyl-N-naphthalen-2-ylbutanamide;hydrochloride (PubChem CID 18408186) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 2-amino-4-methylsulfanyl-N-naphthalen-2-ylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-4-methylsulfanyl-N-naphthalen-2-ylbutanamide;hydrochloride
PubChem CID18408186
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name2-amino-4-methylsulfanyl-N-naphthalen-2-ylbutanamide;hydrochloride
SMILESCSCCC(N)C(=O)Nc1ccc2ccccc2c1.Cl
InChIInChI=1S/C15H18N2OS.ClH/c1-19-9-8-14(16)15(18)17-13-7-6-11-4-2-3-5-12(11)10-13;/h2-7,10,14H,8-9,16H2,1H3,(H,17,18);1H
InChIKeyIYGBYYCUSXBVCW-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylsulfanylbutanamide
CID 81259945
(2S)-2-amino-4-methylsulfanyl-N-(3-propan-2-ylphenyl)butanamide;hydrochloride
CID 119269841
(2S)-2-amino-N-naphthalen-2-ylpentanediamide
CID 7020027
(2S)-N-(3-acetylphenyl)-2-amino-4-methylsulfanylbutanamide;hydrochloride
CID 119262966
2-amino-4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)butanamide;hydrochloride
CID 119269340
2-amino-5-methoxy-N-naphthalen-2-ylpentanamide
CID 81083067
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119280795
carbonic acid;(2S)-2,5-diamino-N-naphthalen-2-ylpentanamide
CID 90473324
(2S)-2-amino-N-(3-chloro-4-fluorophenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119263179
2-amino-4-methyl-N-naphthalen-2-ylpentanamide chloride
CID 5351894
(2S)-2-amino-4-methylsulfanyl-N-[3-(3-phenylpropyl)phenyl]butanamide;hydrochloride
CID 119316029
(2S)-2-amino-N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-methylsulfanylbutanamide
CID 119289681

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfanyl-N-naphthalen-2-ylbutanamide;hydrochloride?
The IUPAC name of 2-amino-4-methylsulfanyl-N-naphthalen-2-ylbutanamide;hydrochloride (CID 18408186) is 2-amino-4-methylsulfanyl-N-naphthalen-2-ylbutanamide;hydrochloride.
What is the SMILES notation for 2-amino-4-methylsulfanyl-N-naphthalen-2-ylbutanamide;hydrochloride?
The canonical SMILES for 2-amino-4-methylsulfanyl-N-naphthalen-2-ylbutanamide;hydrochloride is CSCCC(N)C(=O)Nc1ccc2ccccc2c1.Cl.
What is the InChIKey of 2-amino-4-methylsulfanyl-N-naphthalen-2-ylbutanamide;hydrochloride?
The InChIKey is IYGBYYCUSXBVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS.ClH/c1-19-9-8-14(16)15(18)17-13-7-6-11-4-2-3-5-12(11)10-13;/h2-7,10,14H,8-9,16H2,1H3,(H,17,18);1H.
What are the key properties of 2-amino-4-methylsulfanyl-N-naphthalen-2-ylbutanamide;hydrochloride?
2-amino-4-methylsulfanyl-N-naphthalen-2-ylbutanamide;hydrochloride has a molecular weight of 310.85 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfanyl-N-naphthalen-2-ylbutanamide;hydrochloride is sourced from PubChem (CID 18408186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).