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

C11H16N2OS — CID 64662744

IUPAC2-[3-(1-aminoethyl)phenyl]sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1cccc(C(C)N)c1
InChIInChI=1S/C11H16N2OS/c1-8(12)9-4-3-5-10(6-9)15-7-11(14)13-2/h3-6,8H,7,12H2,1-2H3,(H,13,14)
InChIKeyMNABCKBFNRSFLN-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.54
Rot. Bonds4

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

2-[3-(1-aminoethyl)phenyl]sulfanyl-N-methylacetamide (PubChem CID 64662744) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)phenyl]sulfanyl-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)phenyl]sulfanyl-N-methylacetamide
PubChem CID64662744
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-[3-(1-aminoethyl)phenyl]sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1cccc(C(C)N)c1
InChIInChI=1S/C11H16N2OS/c1-8(12)9-4-3-5-10(6-9)15-7-11(14)13-2/h3-6,8H,7,12H2,1-2H3,(H,13,14)
InChIKeyMNABCKBFNRSFLN-UHFFFAOYSA-N
XLogP1.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(1-aminoethyl)phenyl]sulfanyl-N-methylpropanamide
CID 64662146
2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide
CID 64662539
2-(3-acetylphenyl)sulfanyl-N-methylacetamide
CID 64660516
2-(3-formylphenyl)sulfanyl-N-methylacetamide
CID 66356193
2-[3-(1-hydroxyethyl)phenyl]sulfanyl-N-propan-2-ylacetamide
CID 64665108
methyl 2-[3-(1-aminoethyl)phenyl]sulfanylpropanoate
CID 64662519
2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-3-ylacetamide
CID 64660929
2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665949
N-cyclopropyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665950
2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(2-methylpropyl)propanamide
CID 64663321
4-[3-[(1R)-1-aminoethyl]phenoxy]-N-methylbutanamide
CID 78953849
2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide
CID 60665693

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)phenyl]sulfanyl-N-methylacetamide?
The IUPAC name of 2-[3-(1-aminoethyl)phenyl]sulfanyl-N-methylacetamide (CID 64662744) is 2-[3-(1-aminoethyl)phenyl]sulfanyl-N-methylacetamide.
What is the SMILES notation for 2-[3-(1-aminoethyl)phenyl]sulfanyl-N-methylacetamide?
The canonical SMILES for 2-[3-(1-aminoethyl)phenyl]sulfanyl-N-methylacetamide is CNC(=O)CSc1cccc(C(C)N)c1.
What is the InChIKey of 2-[3-(1-aminoethyl)phenyl]sulfanyl-N-methylacetamide?
The InChIKey is MNABCKBFNRSFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8(12)9-4-3-5-10(6-9)15-7-11(14)13-2/h3-6,8H,7,12H2,1-2H3,(H,13,14).
What are the key properties of 2-[3-(1-aminoethyl)phenyl]sulfanyl-N-methylacetamide?
2-[3-(1-aminoethyl)phenyl]sulfanyl-N-methylacetamide has a molecular weight of 224.33 g/mol, XLogP of 1.54, 4 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-methylacetamide is sourced from PubChem (CID 64662744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).