N-[3-(2-ethylimidazol-1-yl)propyl]-2-methylsulfanylacetamide

C11H19N3OS — CID 91770591

IUPACN-[3-(2-ethylimidazol-1-yl)propyl]-2-methylsulfanylacetamide
SMILESCCc1nccn1CCCNC(=O)CSC
InChIInChI=1S/C11H19N3OS/c1-3-10-12-6-8-14(10)7-4-5-13-11(15)9-16-2/h6,8H,3-5,7,9H2,1-2H3,(H,13,15)
InChIKeyHQYGKUCDSNKSCM-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.31
Rot. Bonds7

About N-[3-(2-ethylimidazol-1-yl)propyl]-2-methylsulfanylacetamide

N-[3-(2-ethylimidazol-1-yl)propyl]-2-methylsulfanylacetamide (PubChem CID 91770591) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[3-(2-ethylimidazol-1-yl)propyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[3-(2-ethylimidazol-1-yl)propyl]-2-methylsulfanylacetamide
PubChem CID91770591
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-[3-(2-ethylimidazol-1-yl)propyl]-2-methylsulfanylacetamide
SMILESCCc1nccn1CCCNC(=O)CSC
InChIInChI=1S/C11H19N3OS/c1-3-10-12-6-8-14(10)7-4-5-13-11(15)9-16-2/h6,8H,3-5,7,9H2,1-2H3,(H,13,15)
InChIKeyHQYGKUCDSNKSCM-UHFFFAOYSA-N
XLogP1.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylimidazol-1-yl)propyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[3-(2-ethylimidazol-1-yl)propyl]-2-methylsulfanylacetamide (CID 91770591) is N-[3-(2-ethylimidazol-1-yl)propyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[3-(2-ethylimidazol-1-yl)propyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[3-(2-ethylimidazol-1-yl)propyl]-2-methylsulfanylacetamide is CCc1nccn1CCCNC(=O)CSC.
What is the InChIKey of N-[3-(2-ethylimidazol-1-yl)propyl]-2-methylsulfanylacetamide?
The InChIKey is HQYGKUCDSNKSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-10-12-6-8-14(10)7-4-5-13-11(15)9-16-2/h6,8H,3-5,7,9H2,1-2H3,(H,13,15).
What are the key properties of N-[3-(2-ethylimidazol-1-yl)propyl]-2-methylsulfanylacetamide?
N-[3-(2-ethylimidazol-1-yl)propyl]-2-methylsulfanylacetamide has a molecular weight of 241.36 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylimidazol-1-yl)propyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 91770591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).