N-(2-amino-2-methylpropyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide

C15H24N2OS — CID 119629181

IUPACN-(2-amino-2-methylpropyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)NCC(C)(C)N)cc1C
InChIInChI=1S/C15H24N2OS/c1-11-5-6-13(9-12(11)2)19-8-7-14(18)17-10-15(3,4)16/h5-6,9H,7-8,10,16H2,1-4H3,(H,17,18)
InChIKeyAECNUKGKUFHHOH-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.64
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide

N-(2-amino-2-methylpropyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide (PubChem CID 119629181) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
PubChem CID119629181
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-(2-amino-2-methylpropyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)NCC(C)(C)N)cc1C
InChIInChI=1S/C15H24N2OS/c1-11-5-6-13(9-12(11)2)19-8-7-14(18)17-10-15(3,4)16/h5-6,9H,7-8,10,16H2,1-4H3,(H,17,18)
InChIKeyAECNUKGKUFHHOH-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 119523977
N-(2-amino-2-methylpropyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide
CID 119628774
3-(3,4-dimethylphenyl)sulfanyl-N-[(E)-pent-3-enyl]propanamide
CID 115628128
3-(3,4-dimethylphenyl)sulfanyl-N-(3-hydroxy-2-methylpropyl)propanamide
CID 65034689
3-(3,4-dimethylphenyl)sulfanyl-N-(4-hydroxypentyl)propanamide
CID 107300545
3-(3,4-dimethylphenyl)sulfanyl-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120832196
3-(4-amino-3-methylphenyl)sulfanyl-N-ethylpropanamide
CID 79148198
N-[(2R)-butan-2-yl]-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 94006127
N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride
CID 120568294
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 112814079
hydrazinyl 3-(3,4-dimethylphenyl)sulfanylpropanoate
CID 66337335
N-(4-aminocyclohexyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 119477664

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide (CID 119629181) is N-(2-amino-2-methylpropyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide is Cc1ccc(SCCC(=O)NCC(C)(C)N)cc1C.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide?
The InChIKey is AECNUKGKUFHHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-11-5-6-13(9-12(11)2)19-8-7-14(18)17-10-15(3,4)16/h5-6,9H,7-8,10,16H2,1-4H3,(H,17,18).
What are the key properties of N-(2-amino-2-methylpropyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide?
N-(2-amino-2-methylpropyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide has a molecular weight of 280.44 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide is sourced from PubChem (CID 119629181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).