2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide

C15H24N2OS — CID 64662539

IUPAC2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CSc1cccc(C(C)N)c1
InChIInChI=1S/C15H24N2OS/c1-11(2)7-8-17-15(18)10-19-14-6-4-5-13(9-14)12(3)16/h4-6,9,11-12H,7-8,10,16H2,1-3H3,(H,17,18)
InChIKeyDXSGNNKUGWUJRB-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.96
Rot. Bonds7

About 2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide

2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide (PubChem CID 64662539) 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-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide
PubChem CID64662539
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CSc1cccc(C(C)N)c1
InChIInChI=1S/C15H24N2OS/c1-11(2)7-8-17-15(18)10-19-14-6-4-5-13(9-14)12(3)16/h4-6,9,11-12H,7-8,10,16H2,1-3H3,(H,17,18)
InChIKeyDXSGNNKUGWUJRB-UHFFFAOYSA-N
XLogP2.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

2-[3-(1-aminoethyl)phenyl]sulfanyl-N-methylacetamide
CID 64662744
2-[3-(hydroxymethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide
CID 66348561
N-(3-methylbutyl)-2-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylacetamide
CID 66348468
N-(3-aminobutyl)-2-phenylsulfanylacetamide
CID 63253683
2-(4-chlorophenyl)sulfanyl-N-(3-methylbutyl)acetamide
CID 112781367
3-[3-(1-aminoethyl)phenyl]sulfanyl-N-methylpropanamide
CID 64662146
2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(2-methylpropyl)propanamide
CID 64663321
2-(2-amino-5-methylphenyl)sulfanyl-N-(3-methylbutyl)acetamide
CID 79142633
2-(4-amino-3-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
CID 79126761
N-(3-hydroxy-3-phenylpropyl)-2-phenylsulfanylacetamide
CID 111471528
2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(3-methylbutyl)acetamide
CID 61486644
2-[3-(1-hydroxyethyl)phenyl]sulfanyl-N-propan-2-ylacetamide
CID 64665108

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide (CID 64662539) is 2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CSc1cccc(C(C)N)c1.
What is the InChIKey of 2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide?
The InChIKey is DXSGNNKUGWUJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-11(2)7-8-17-15(18)10-19-14-6-4-5-13(9-14)12(3)16/h4-6,9,11-12H,7-8,10,16H2,1-3H3,(H,17,18).
What are the key properties of 2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide?
2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide has a molecular weight of 280.44 g/mol, XLogP of 2.96, 7 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-(3-methylbutyl)acetamide is sourced from PubChem (CID 64662539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).