N-(3-amino-3-phenylpropyl)-2-methyl-3-methylsulfanylpropanamide

C14H22N2OS — CID 114221825

IUPACN-(3-amino-3-phenylpropyl)-2-methyl-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)NCCC(N)c1ccccc1
InChIInChI=1S/C14H22N2OS/c1-11(10-18-2)14(17)16-9-8-13(15)12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3,(H,16,17)
InChIKeyCRPIVILNQMSQJG-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.19
Rot. Bonds7

About N-(3-amino-3-phenylpropyl)-2-methyl-3-methylsulfanylpropanamide

N-(3-amino-3-phenylpropyl)-2-methyl-3-methylsulfanylpropanamide (PubChem CID 114221825) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(3-amino-3-phenylpropyl)-2-methyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(3-amino-3-phenylpropyl)-2-methyl-3-methylsulfanylpropanamide
PubChem CID114221825
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-(3-amino-3-phenylpropyl)-2-methyl-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)NCCC(N)c1ccccc1
InChIInChI=1S/C14H22N2OS/c1-11(10-18-2)14(17)16-9-8-13(15)12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3,(H,16,17)
InChIKeyCRPIVILNQMSQJG-UHFFFAOYSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-3-phenylpropyl)-2-ethylbutanamide
CID 80506593
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CID 80506602
N-(2-amino-2-phenylethyl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide
CID 119527961
N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide
CID 80506627
(2S)-2-amino-N-(2-methylsulfanylethyl)-2-phenylacetamide
CID 104897926
4-[(2-hydroxy-2-phenylacetyl)amino]-2-methylbutanoic acid
CID 80539222
N-(3-amino-3-phenylpropyl)-3-phenylpropanamide
CID 80505663
5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylpentanoic acid
CID 103870672
N-(3-amino-3-phenylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 80505709
N-(3-amino-3-phenylpropyl)octanamide
CID 80506646
N-(3-amino-3-phenylpropyl)-3,5-dihydroxybenzamide
CID 107705147

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-phenylpropyl)-2-methyl-3-methylsulfanylpropanamide?
The IUPAC name of N-(3-amino-3-phenylpropyl)-2-methyl-3-methylsulfanylpropanamide (CID 114221825) is N-(3-amino-3-phenylpropyl)-2-methyl-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(3-amino-3-phenylpropyl)-2-methyl-3-methylsulfanylpropanamide?
The canonical SMILES for N-(3-amino-3-phenylpropyl)-2-methyl-3-methylsulfanylpropanamide is CSCC(C)C(=O)NCCC(N)c1ccccc1.
What is the InChIKey of N-(3-amino-3-phenylpropyl)-2-methyl-3-methylsulfanylpropanamide?
The InChIKey is CRPIVILNQMSQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11(10-18-2)14(17)16-9-8-13(15)12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3,(H,16,17).
What are the key properties of N-(3-amino-3-phenylpropyl)-2-methyl-3-methylsulfanylpropanamide?
N-(3-amino-3-phenylpropyl)-2-methyl-3-methylsulfanylpropanamide has a molecular weight of 266.41 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-phenylpropyl)-2-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 114221825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).