2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(2-methylpropyl)propanamide

C15H24N2OS — CID 64663321

IUPAC2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Sc1cccc(C(C)N)c1
InChIInChI=1S/C15H24N2OS/c1-10(2)9-17-15(18)12(4)19-14-7-5-6-13(8-14)11(3)16/h5-8,10-12H,9,16H2,1-4H3,(H,17,18)
InChIKeyLNWSDQBXOWPZNQ-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.96
Rot. Bonds6

About 2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(2-methylpropyl)propanamide

2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(2-methylpropyl)propanamide (PubChem CID 64663321) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(2-methylpropyl)propanamide
PubChem CID64663321
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Sc1cccc(C(C)N)c1
InChIInChI=1S/C15H24N2OS/c1-10(2)9-17-15(18)12(4)19-14-7-5-6-13(8-14)11(3)16/h5-8,10-12H,9,16H2,1-4H3,(H,17,18)
InChIKeyLNWSDQBXOWPZNQ-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-(1-aminoethyl)phenyl]sulfanylpropanoate
CID 64662519
2-(3-aminophenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 79133388
2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide
CID 64662539
N-(2-amino-2-phenylethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119527437
3-[3-(1-aminoethyl)phenyl]sulfanyl-N-methylpropanamide
CID 64662146
2-(3-aminophenyl)sulfanyl-N-prop-2-enylpropanamide
CID 79134025
2-(3-formylphenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 66354927
N-(2-aminoethyl)-2-phenylsulfanylpropanamide
CID 119384370
N-(3-methylbutyl)-2-phenylsulfanylpropanamide
CID 4791698
2-[3-(1-aminoethyl)phenyl]sulfanylbutanenitrile
CID 64663113
N-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide
CID 47449269
2-[3-(methylaminomethyl)phenyl]sulfanyl-N-(3-methylbutyl)propanamide
CID 66347435

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(2-methylpropyl)propanamide (CID 64663321) is 2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)Sc1cccc(C(C)N)c1.
What is the InChIKey of 2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(2-methylpropyl)propanamide?
The InChIKey is LNWSDQBXOWPZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-10(2)9-17-15(18)12(4)19-14-7-5-6-13(8-14)11(3)16/h5-8,10-12H,9,16H2,1-4H3,(H,17,18).
What are the key properties of 2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(2-methylpropyl)propanamide?
2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(2-methylpropyl)propanamide has a molecular weight of 280.44 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 64663321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).