2-[3-(aminomethyl)phenyl]sulfanyl-N-(2-methylbutan-2-yl)propanamide

C15H24N2OS — CID 66356220

IUPAC2-[3-(aminomethyl)phenyl]sulfanyl-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Sc1cccc(CN)c1
InChIInChI=1S/C15H24N2OS/c1-5-15(3,4)17-14(18)11(2)19-13-8-6-7-12(9-13)10-16/h6-9,11H,5,10,16H2,1-4H3,(H,17,18)
InChIKeyJEKIPSPZXQQPTM-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.93
Rot. Bonds6

About 2-[3-(aminomethyl)phenyl]sulfanyl-N-(2-methylbutan-2-yl)propanamide

2-[3-(aminomethyl)phenyl]sulfanyl-N-(2-methylbutan-2-yl)propanamide (PubChem CID 66356220) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenyl]sulfanyl-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenyl]sulfanyl-N-(2-methylbutan-2-yl)propanamide
PubChem CID66356220
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-[3-(aminomethyl)phenyl]sulfanyl-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Sc1cccc(CN)c1
InChIInChI=1S/C15H24N2OS/c1-5-15(3,4)17-14(18)11(2)19-13-8-6-7-12(9-13)10-16/h6-9,11H,5,10,16H2,1-4H3,(H,17,18)
InChIKeyJEKIPSPZXQQPTM-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)phenyl]sulfanyl-N-cyclopentylpropanamide
CID 66354315
2-(3-aminophenyl)sulfanyl-N-tert-butylpropanamide
CID 79134421
1-[3-(aminomethyl)phenyl]-3-(2-methylbutan-2-yl)urea
CID 43133022
2-(2-amino-4-methylphenyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide
CID 43302653
2-phenylsulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 133244491
N-ethyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide
CID 66348230
4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid
CID 79149425
N-methyl-2-[3-(methylaminomethyl)phenyl]sulfanylpropanamide
CID 66346847
N-butan-2-yl-2-[3-(hydroxymethyl)phenyl]sulfanylpropanamide
CID 66348555
2-[3-(aminomethyl)phenyl]sulfanyl-1-morpholin-4-ylpropan-1-one
CID 66354946
(2S)-N-tert-butyl-2-phenylsulfanylpropanamide
CID 875313
2-[4-(aminomethyl)-2-fluorophenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 107665393

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenyl]sulfanyl-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[3-(aminomethyl)phenyl]sulfanyl-N-(2-methylbutan-2-yl)propanamide (CID 66356220) is 2-[3-(aminomethyl)phenyl]sulfanyl-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[3-(aminomethyl)phenyl]sulfanyl-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[3-(aminomethyl)phenyl]sulfanyl-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)Sc1cccc(CN)c1.
What is the InChIKey of 2-[3-(aminomethyl)phenyl]sulfanyl-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is JEKIPSPZXQQPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-5-15(3,4)17-14(18)11(2)19-13-8-6-7-12(9-13)10-16/h6-9,11H,5,10,16H2,1-4H3,(H,17,18).
What are the key properties of 2-[3-(aminomethyl)phenyl]sulfanyl-N-(2-methylbutan-2-yl)propanamide?
2-[3-(aminomethyl)phenyl]sulfanyl-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 280.44 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenyl]sulfanyl-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 66356220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).