N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide

C6H11N3O2S — CID 20745862

IUPACN-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1cnc[nH]1
InChIInChI=1S/C6H11N3O2S/c1-12(10,11)9-3-2-6-4-7-5-8-6/h4-5,9H,2-3H2,1H3,(H,7,8)
InChIKeyIEBYRWZZDCMOBY-UHFFFAOYSA-N
MW189.24 g/mol
LogP-0.50
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide

N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide (PubChem CID 20745862) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide
PubChem CID20745862
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1cnc[nH]1
InChIInChI=1S/C6H11N3O2S/c1-12(10,11)9-3-2-6-4-7-5-8-6/h4-5,9H,2-3H2,1H3,(H,7,8)
InChIKeyIEBYRWZZDCMOBY-UHFFFAOYSA-N
XLogP-0.50
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide (CID 20745862) is N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide is CS(=O)(=O)NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide?
The InChIKey is IEBYRWZZDCMOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S/c1-12(10,11)9-3-2-6-4-7-5-8-6/h4-5,9H,2-3H2,1H3,(H,7,8).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide?
N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide has a molecular weight of 189.24 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 20745862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).