N-(2-hydroxyethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

C8H13N3O2S — CID 4648633

IUPACN-(2-hydroxyethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)NCCO
InChIInChI=1S/C8H13N3O2S/c1-11-4-2-10-8(11)14-6-7(13)9-3-5-12/h2,4,12H,3,5-6H2,1H3,(H,9,13)
InChIKeyHCAUAOGTBZZKRL-UHFFFAOYSA-N
MW215.28 g/mol
LogP-0.38
Rot. Bonds5

About N-(2-hydroxyethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-(2-hydroxyethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 4648633) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID4648633
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-(2-hydroxyethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)NCCO
InChIInChI=1S/C8H13N3O2S/c1-11-4-2-10-8(11)14-6-7(13)9-3-5-12/h2,4,12H,3,5-6H2,1H3,(H,9,13)
InChIKeyHCAUAOGTBZZKRL-UHFFFAOYSA-N
XLogP-0.38
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 4648633) is N-(2-hydroxyethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is Cn1ccnc1SCC(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is HCAUAOGTBZZKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-11-4-2-10-8(11)14-6-7(13)9-3-5-12/h2,4,12H,3,5-6H2,1H3,(H,9,13).
What are the key properties of N-(2-hydroxyethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-(2-hydroxyethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 215.28 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 4648633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).