4-amino-N-(3-methylsulfanylphenyl)butanamide;hydrochloride

C11H17ClN2OS — CID 119262097

IUPAC4-amino-N-(3-methylsulfanylphenyl)butanamide;hydrochloride
SMILESCSc1cccc(NC(=O)CCCN)c1.Cl
InChIInChI=1S/C11H16N2OS.ClH/c1-15-10-5-2-4-9(8-10)13-11(14)6-3-7-12;/h2,4-5,8H,3,6-7,12H2,1H3,(H,13,14);1H
InChIKeyGMSLTORWDQZWIE-UHFFFAOYSA-N
MW260.79 g/mol
LogP2.51
Rot. Bonds5

About 4-amino-N-(3-methylsulfanylphenyl)butanamide;hydrochloride

4-amino-N-(3-methylsulfanylphenyl)butanamide;hydrochloride (PubChem CID 119262097) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is 4-amino-N-(3-methylsulfanylphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(3-methylsulfanylphenyl)butanamide;hydrochloride
PubChem CID119262097
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name4-amino-N-(3-methylsulfanylphenyl)butanamide;hydrochloride
SMILESCSc1cccc(NC(=O)CCCN)c1.Cl
InChIInChI=1S/C11H16N2OS.ClH/c1-15-10-5-2-4-9(8-10)13-11(14)6-3-7-12;/h2,4-5,8H,3,6-7,12H2,1H3,(H,13,14);1H
InChIKeyGMSLTORWDQZWIE-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-methylsulfanylanilino)-6-oxohexanoic acid
CID 43529412
4-amino-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
CID 119273782
4-amino-N-[3-(difluoromethylsulfanyl)phenyl]butanamide
CID 119315980
4-(3-methylsulfanylanilino)-4-oxobutanoate
CID 4085618
N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720
3-(ethylamino)-N-(3-methylsulfanylphenyl)propanamide
CID 62831539
4-(4-bromophenoxy)-N-(3-methylsulfanylphenyl)butanamide
CID 5032574
2-isocyano-N-(3-methylsulfanylphenyl)acetamide
CID 108814742
4-amino-N-[3-(hydroxymethyl)phenyl]butanamide
CID 43707512
4-(4-tert-butylphenoxy)-N-(3-methylsulfanylphenyl)butanamide
CID 18229409
ethyl 3-(4-aminobutanoylamino)benzoate;hydrochloride
CID 119272979
3-(2,4-dichlorophenyl)-N-(3-methylsulfanylphenyl)propanamide
CID 100606198

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methylsulfanylphenyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-(3-methylsulfanylphenyl)butanamide;hydrochloride (CID 119262097) is 4-amino-N-(3-methylsulfanylphenyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(3-methylsulfanylphenyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(3-methylsulfanylphenyl)butanamide;hydrochloride is CSc1cccc(NC(=O)CCCN)c1.Cl.
What is the InChIKey of 4-amino-N-(3-methylsulfanylphenyl)butanamide;hydrochloride?
The InChIKey is GMSLTORWDQZWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS.ClH/c1-15-10-5-2-4-9(8-10)13-11(14)6-3-7-12;/h2,4-5,8H,3,6-7,12H2,1H3,(H,13,14);1H.
What are the key properties of 4-amino-N-(3-methylsulfanylphenyl)butanamide;hydrochloride?
4-amino-N-(3-methylsulfanylphenyl)butanamide;hydrochloride has a molecular weight of 260.79 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methylsulfanylphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119262097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).