1-ethyl-N-[[2-(hydroxymethyl)cyclopentyl]methyl]imidazole-4-sulfonamide

C12H21N3O3S — CID 79373655

IUPAC1-ethyl-N-[[2-(hydroxymethyl)cyclopentyl]methyl]imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NCC2CCCC2CO)c1
InChIInChI=1S/C12H21N3O3S/c1-2-15-7-12(13-9-15)19(17,18)14-6-10-4-3-5-11(10)8-16/h7,9-11,14,16H,2-6,8H2,1H3
InChIKeyXYXFJXORBQYPKN-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.59
Rot. Bonds6

About 1-ethyl-N-[[2-(hydroxymethyl)cyclopentyl]methyl]imidazole-4-sulfonamide

1-ethyl-N-[[2-(hydroxymethyl)cyclopentyl]methyl]imidazole-4-sulfonamide (PubChem CID 79373655) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-ethyl-N-[[2-(hydroxymethyl)cyclopentyl]methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[[2-(hydroxymethyl)cyclopentyl]methyl]imidazole-4-sulfonamide
PubChem CID79373655
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name1-ethyl-N-[[2-(hydroxymethyl)cyclopentyl]methyl]imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NCC2CCCC2CO)c1
InChIInChI=1S/C12H21N3O3S/c1-2-15-7-12(13-9-15)19(17,18)14-6-10-4-3-5-11(10)8-16/h7,9-11,14,16H,2-6,8H2,1H3
InChIKeyXYXFJXORBQYPKN-UHFFFAOYSA-N
XLogP0.59
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[2-(hydroxymethyl)cyclopentyl]methyl]imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[[2-(hydroxymethyl)cyclopentyl]methyl]imidazole-4-sulfonamide (CID 79373655) is 1-ethyl-N-[[2-(hydroxymethyl)cyclopentyl]methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[[2-(hydroxymethyl)cyclopentyl]methyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[[2-(hydroxymethyl)cyclopentyl]methyl]imidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)NCC2CCCC2CO)c1.
What is the InChIKey of 1-ethyl-N-[[2-(hydroxymethyl)cyclopentyl]methyl]imidazole-4-sulfonamide?
The InChIKey is XYXFJXORBQYPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-2-15-7-12(13-9-15)19(17,18)14-6-10-4-3-5-11(10)8-16/h7,9-11,14,16H,2-6,8H2,1H3.
What are the key properties of 1-ethyl-N-[[2-(hydroxymethyl)cyclopentyl]methyl]imidazole-4-sulfonamide?
1-ethyl-N-[[2-(hydroxymethyl)cyclopentyl]methyl]imidazole-4-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[2-(hydroxymethyl)cyclopentyl]methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 79373655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).