3-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)butanamide;hydrochloride

C15H25ClN2OS — CID 119758951

IUPAC3-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)butanamide;hydrochloride
SMILESCCC(C)Sc1ccc(NC(=O)CC(C)N)c(C)c1.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-5-12(4)19-13-6-7-14(10(2)8-13)17-15(18)9-11(3)16;/h6-8,11-12H,5,9,16H2,1-4H3,(H,17,18);1H
InChIKeyBPLMBCGODLOBLL-UHFFFAOYSA-N
MW316.90 g/mol
LogP3.98
Rot. Bonds6

About 3-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)butanamide;hydrochloride

3-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)butanamide;hydrochloride (PubChem CID 119758951) has the molecular formula C15H25ClN2OS and a molecular weight of 316.90 g/mol. Its IUPAC name is 3-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)butanamide;hydrochloride
PubChem CID119758951
Molecular FormulaC15H25ClN2OS
Molecular Weight316.90 g/mol
Exact Mass316.14
IUPAC Name3-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)butanamide;hydrochloride
SMILESCCC(C)Sc1ccc(NC(=O)CC(C)N)c(C)c1.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-5-12(4)19-13-6-7-14(10(2)8-13)17-15(18)9-11(3)16;/h6-8,11-12H,5,9,16H2,1-4H3,(H,17,18);1H
InChIKeyBPLMBCGODLOBLL-UHFFFAOYSA-N
XLogP3.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.90
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119765612
3-amino-N-(4-bromo-2-methylphenyl)butanamide;hydrochloride
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3-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)benzamide;hydrochloride
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(2R)-N-[4-[(2S)-butan-2-yl]sulfanyl-2-methylphenyl]-2-propan-2-ylsulfonylpropanamide
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N-[4-[(2R)-butan-2-yl]sulfanyl-2-methylphenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
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3-amino-N-(2-methyl-4-propoxyphenyl)butanamide;hydrochloride
CID 119739467
2-[(4-butan-2-ylsulfanyl-2-methylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
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N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-4-carboxamide
CID 119309241
4-[(2S)-butan-2-yl]sulfanyl-2-methylaniline
CID 51684097
4-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)butanamide;hydrochloride?
The IUPAC name of 3-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)butanamide;hydrochloride (CID 119758951) is 3-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)butanamide;hydrochloride is CCC(C)Sc1ccc(NC(=O)CC(C)N)c(C)c1.Cl.
What is the InChIKey of 3-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)butanamide;hydrochloride?
The InChIKey is BPLMBCGODLOBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS.ClH/c1-5-12(4)19-13-6-7-14(10(2)8-13)17-15(18)9-11(3)16;/h6-8,11-12H,5,9,16H2,1-4H3,(H,17,18);1H.
What are the key properties of 3-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)butanamide;hydrochloride?
3-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)butanamide;hydrochloride has a molecular weight of 316.90 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119758951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).