2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide

C10H15N3O2S — CID 44908284

IUPAC2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide
SMILESNC(=O)CSc1nccn1CC1CCCO1
InChIInChI=1S/C10H15N3O2S/c11-9(14)7-16-10-12-3-4-13(10)6-8-2-1-5-15-8/h3-4,8H,1-2,5-7H2,(H2,11,14)
InChIKeyYGICQHBDLNWALN-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.64
Rot. Bonds5

About 2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide

2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 44908284) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide
PubChem CID44908284
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide
SMILESNC(=O)CSc1nccn1CC1CCCO1
InChIInChI=1S/C10H15N3O2S/c11-9(14)7-16-10-12-3-4-13(10)6-8-2-1-5-15-8/h3-4,8H,1-2,5-7H2,(H2,11,14)
InChIKeyYGICQHBDLNWALN-UHFFFAOYSA-N
XLogP0.64
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of 2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide (CID 44908284) is 2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for 2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for 2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide is NC(=O)CSc1nccn1CC1CCCO1.
What is the InChIKey of 2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is YGICQHBDLNWALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c11-9(14)7-16-10-12-3-4-13(10)6-8-2-1-5-15-8/h3-4,8H,1-2,5-7H2,(H2,11,14).
What are the key properties of 2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 241.32 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 44908284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).