N-(1-aminohexan-2-yl)-2-methylsulfanyl-2-phenylacetamide

C15H24N2OS — CID 119667243

IUPACN-(1-aminohexan-2-yl)-2-methylsulfanyl-2-phenylacetamide
SMILESCCCCC(CN)NC(=O)C(SC)c1ccccc1
InChIInChI=1S/C15H24N2OS/c1-3-4-10-13(11-16)17-15(18)14(19-2)12-8-6-5-7-9-12/h5-9,13-14H,3-4,10-11,16H2,1-2H3,(H,17,18)
InChIKeyMJLDMUKLUCHQJZ-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.72
Rot. Bonds8

About N-(1-aminohexan-2-yl)-2-methylsulfanyl-2-phenylacetamide

N-(1-aminohexan-2-yl)-2-methylsulfanyl-2-phenylacetamide (PubChem CID 119667243) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-methylsulfanyl-2-phenylacetamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-methylsulfanyl-2-phenylacetamide
PubChem CID119667243
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-(1-aminohexan-2-yl)-2-methylsulfanyl-2-phenylacetamide
SMILESCCCCC(CN)NC(=O)C(SC)c1ccccc1
InChIInChI=1S/C15H24N2OS/c1-3-4-10-13(11-16)17-15(18)14(19-2)12-8-6-5-7-9-12/h5-9,13-14H,3-4,10-11,16H2,1-2H3,(H,17,18)
InChIKeyMJLDMUKLUCHQJZ-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119668250
N-(1-aminohexan-2-yl)-2-(2-methylphenyl)acetamide
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(2S)-2-[(3-amino-2-phenylpropanoyl)amino]hexanoic acid
CID 107147010
N-(1-aminohexan-2-yl)-2-benzylbenzamide
CID 119666866
2-amino-N-(1-aminohexan-2-yl)benzamide
CID 122080973
N-(1-aminohexan-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 80698357
3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119668834
3-amino-N-(2-ethylhexyl)-2-phenylpropanamide
CID 62878370
N-(1-aminohexan-2-yl)-2-(2-chlorophenyl)acetamide;hydrochloride
CID 119667896
N-(1-aminohexan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride
CID 119665599
N-(1-aminohexan-2-yl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide;hydrochloride
CID 119666700
N-[(2S)-1-aminohexan-2-yl]-2,3-dimethylbutanamide
CID 171627931

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-methylsulfanyl-2-phenylacetamide?
The IUPAC name of N-(1-aminohexan-2-yl)-2-methylsulfanyl-2-phenylacetamide (CID 119667243) is N-(1-aminohexan-2-yl)-2-methylsulfanyl-2-phenylacetamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-methylsulfanyl-2-phenylacetamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-methylsulfanyl-2-phenylacetamide is CCCCC(CN)NC(=O)C(SC)c1ccccc1.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-methylsulfanyl-2-phenylacetamide?
The InChIKey is MJLDMUKLUCHQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-3-4-10-13(11-16)17-15(18)14(19-2)12-8-6-5-7-9-12/h5-9,13-14H,3-4,10-11,16H2,1-2H3,(H,17,18).
What are the key properties of N-(1-aminohexan-2-yl)-2-methylsulfanyl-2-phenylacetamide?
N-(1-aminohexan-2-yl)-2-methylsulfanyl-2-phenylacetamide has a molecular weight of 280.44 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-methylsulfanyl-2-phenylacetamide is sourced from PubChem (CID 119667243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).