N-(1-aminopropan-2-yl)-2-benzylsulfanyl-N-methylpropanamide

C14H22N2OS — CID 119581950

IUPACN-(1-aminopropan-2-yl)-2-benzylsulfanyl-N-methylpropanamide
SMILESCC(SCc1ccccc1)C(=O)N(C)C(C)CN
InChIInChI=1S/C14H22N2OS/c1-11(9-15)16(3)14(17)12(2)18-10-13-7-5-4-6-8-13/h4-8,11-12H,9-10,15H2,1-3H3
InChIKeyMKRHYLKNOQQBOD-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.11
Rot. Bonds6

About N-(1-aminopropan-2-yl)-2-benzylsulfanyl-N-methylpropanamide

N-(1-aminopropan-2-yl)-2-benzylsulfanyl-N-methylpropanamide (PubChem CID 119581950) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-benzylsulfanyl-N-methylpropanamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-benzylsulfanyl-N-methylpropanamide
PubChem CID119581950
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-(1-aminopropan-2-yl)-2-benzylsulfanyl-N-methylpropanamide
SMILESCC(SCc1ccccc1)C(=O)N(C)C(C)CN
InChIInChI=1S/C14H22N2OS/c1-11(9-15)16(3)14(17)12(2)18-10-13-7-5-4-6-8-13/h4-8,11-12H,9-10,15H2,1-3H3
InChIKeyMKRHYLKNOQQBOD-UHFFFAOYSA-N
XLogP2.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-benzylsulfanyl-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide
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(2R)-2-benzylsulfanylpropanehydrazide
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N-(3-amino-2-methylpropyl)-2-benzylsulfanylpropanamide
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2-benzylsulfanyl-1-(4-ethylphenyl)propan-1-one
CID 43218535
5-[[2-benzylsulfanylpropanoyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
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3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide
CID 62879219
N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-N-methylpropanamide
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(2S)-2-benzylsulfanylpentan-1-amine
CID 100977725
N-(2-amino-2-ethylbutyl)-2-benzylsulfanylpropanamide;hydrochloride
CID 119640354

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-benzylsulfanyl-N-methylpropanamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2-benzylsulfanyl-N-methylpropanamide (CID 119581950) is N-(1-aminopropan-2-yl)-2-benzylsulfanyl-N-methylpropanamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-benzylsulfanyl-N-methylpropanamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-benzylsulfanyl-N-methylpropanamide is CC(SCc1ccccc1)C(=O)N(C)C(C)CN.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-benzylsulfanyl-N-methylpropanamide?
The InChIKey is MKRHYLKNOQQBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11(9-15)16(3)14(17)12(2)18-10-13-7-5-4-6-8-13/h4-8,11-12H,9-10,15H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-2-benzylsulfanyl-N-methylpropanamide?
N-(1-aminopropan-2-yl)-2-benzylsulfanyl-N-methylpropanamide has a molecular weight of 266.41 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-benzylsulfanyl-N-methylpropanamide is sourced from PubChem (CID 119581950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).