2-[3-(aminomethyl)phenyl]sulfanyl-N-pentan-2-ylacetamide

C14H22N2OS — CID 66353279

IUPAC2-[3-(aminomethyl)phenyl]sulfanyl-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CSc1cccc(CN)c1
InChIInChI=1S/C14H22N2OS/c1-3-5-11(2)16-14(17)10-18-13-7-4-6-12(8-13)9-15/h4,6-8,11H,3,5,9-10,15H2,1-2H3,(H,16,17)
InChIKeyCQYXMSJODURVPB-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.54
Rot. Bonds7

About 2-[3-(aminomethyl)phenyl]sulfanyl-N-pentan-2-ylacetamide

2-[3-(aminomethyl)phenyl]sulfanyl-N-pentan-2-ylacetamide (PubChem CID 66353279) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenyl]sulfanyl-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenyl]sulfanyl-N-pentan-2-ylacetamide
PubChem CID66353279
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-[3-(aminomethyl)phenyl]sulfanyl-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CSc1cccc(CN)c1
InChIInChI=1S/C14H22N2OS/c1-3-5-11(2)16-14(17)10-18-13-7-4-6-12(8-13)9-15/h4,6-8,11H,3,5,9-10,15H2,1-2H3,(H,16,17)
InChIKeyCQYXMSJODURVPB-UHFFFAOYSA-N
XLogP2.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-pentan-2-yl-2-[3-(propylaminomethyl)phenyl]sulfanylacetamide
CID 66347676
N-butan-2-yl-2-[3-[(2-methylpropylamino)methyl]phenyl]sulfanylacetamide
CID 66347747
2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 66347465
2-[3-(aminomethyl)phenyl]sulfanyl-N-prop-2-ynylacetamide
CID 66353280
2-(4-methylphenyl)sulfanyl-N-pentan-2-ylacetamide
CID 2954459
2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 66347840
N-(1-phenylpropan-2-yl)-2-phenylsulfanylacetamide
CID 142934157
N-(1-aminopentan-2-yl)-2-phenylsulfanylacetamide
CID 65191100
2-[3-(aminomethyl)pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 66408404
N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide
CID 79031593
2-(4-nitrophenyl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide
CID 8892304
2-[3-(aminomethyl)-N-methylanilino]-N-pentan-2-ylpropanamide
CID 62970139

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenyl]sulfanyl-N-pentan-2-ylacetamide?
The IUPAC name of 2-[3-(aminomethyl)phenyl]sulfanyl-N-pentan-2-ylacetamide (CID 66353279) is 2-[3-(aminomethyl)phenyl]sulfanyl-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)phenyl]sulfanyl-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)phenyl]sulfanyl-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CSc1cccc(CN)c1.
What is the InChIKey of 2-[3-(aminomethyl)phenyl]sulfanyl-N-pentan-2-ylacetamide?
The InChIKey is CQYXMSJODURVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-5-11(2)16-14(17)10-18-13-7-4-6-12(8-13)9-15/h4,6-8,11H,3,5,9-10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[3-(aminomethyl)phenyl]sulfanyl-N-pentan-2-ylacetamide?
2-[3-(aminomethyl)phenyl]sulfanyl-N-pentan-2-ylacetamide has a molecular weight of 266.41 g/mol, XLogP of 2.54, 7 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-pentan-2-ylacetamide is sourced from PubChem (CID 66353279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).