N-(1-amino-2-methylpropan-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide

C15H24N2OS — CID 119523977

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

About N-(1-amino-2-methylpropan-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide

N-(1-amino-2-methylpropan-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide (PubChem CID 119523977) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
PubChem CID119523977
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)NC(C)(C)CN)cc1C
InChIInChI=1S/C15H24N2OS/c1-11-5-6-13(9-12(11)2)19-8-7-14(18)17-15(3,4)10-16/h5-6,9H,7-8,10,16H2,1-4H3,(H,17,18)
InChIKeySRIJEEGYYLAHSG-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-(4-chlorophenyl)sulfanylpropanamide
CID 119522821
N-(2-amino-2-methylpropyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 119629181
N-(1-amino-2-methylpropan-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride
CID 119521442
N-(4-aminocyclohexyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 119477664
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-[1-(aminomethyl)cyclopentyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 119567373
hydrazinyl 3-(3,4-dimethylphenyl)sulfanylpropanoate
CID 66337335
3-(3,4-dimethylphenyl)sulfanyl-N-[(E)-pent-3-enyl]propanamide
CID 115628128
3-(3,4-dimethylphenyl)sulfanyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389031
3-(3,4-dimethylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide
CID 8573456
3-(3,4-dimethylphenyl)sulfanyl-N-(3-hydroxy-2-methylpropyl)propanamide
CID 65034689

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide (CID 119523977) is N-(1-amino-2-methylpropan-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide is Cc1ccc(SCCC(=O)NC(C)(C)CN)cc1C.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide?
The InChIKey is SRIJEEGYYLAHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-11-5-6-13(9-12(11)2)19-8-7-14(18)17-15(3,4)10-16/h5-6,9H,7-8,10,16H2,1-4H3,(H,17,18).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide?
N-(1-amino-2-methylpropan-2-yl)-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-(1-amino-2-methylpropan-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide is sourced from PubChem (CID 119523977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).