N-[2-(hydroxymethyl)cyclopentyl]-1,2-dimethylimidazole-4-sulfonamide

C11H19N3O3S — CID 103836016

IUPACN-[2-(hydroxymethyl)cyclopentyl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NC2CCCC2CO)cn1C
InChIInChI=1S/C11H19N3O3S/c1-8-12-11(6-14(8)2)18(16,17)13-10-5-3-4-9(10)7-15/h6,9-10,13,15H,3-5,7H2,1-2H3
InChIKeyKJFZYZZDQDFBPS-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.17
Rot. Bonds4

About N-[2-(hydroxymethyl)cyclopentyl]-1,2-dimethylimidazole-4-sulfonamide

N-[2-(hydroxymethyl)cyclopentyl]-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 103836016) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclopentyl]-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclopentyl]-1,2-dimethylimidazole-4-sulfonamide
PubChem CID103836016
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-[2-(hydroxymethyl)cyclopentyl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NC2CCCC2CO)cn1C
InChIInChI=1S/C11H19N3O3S/c1-8-12-11(6-14(8)2)18(16,17)13-10-5-3-4-9(10)7-15/h6,9-10,13,15H,3-5,7H2,1-2H3
InChIKeyKJFZYZZDQDFBPS-UHFFFAOYSA-N
XLogP0.17
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 106364611
2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64816640
1-ethyl-N-[2-(2-hydroxyethyl)cyclopentyl]-2-methylimidazole-4-sulfonamide
CID 136533396
N-[2-(aminomethyl)cyclopentyl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 55153288
1,2-dimethyl-N-[4-(methylamino)cyclohexyl]imidazole-4-sulfonamide
CID 62063852
N-[2-(aminomethyl)cyclohexyl]-2-chloro-1-methylimidazole-4-sulfonamide
CID 126795291
N-[2-(hydroxymethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 103835944
5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-3-methyltriazole-4-sulfonamide
CID 106898543
2-[4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]piperidin-1-yl]ethanethioamide
CID 63625246
5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-2-methylthiophene-3-sulfonamide
CID 103836036
N-[2-(chloromethyl)cyclohexyl]-1-methylimidazole-4-sulfonamide
CID 106367783
N-[2-(hydroxymethyl)cyclopentyl]-5-methylthiophene-2-sulfonamide
CID 113318676

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-1,2-dimethylimidazole-4-sulfonamide (CID 103836016) is N-[2-(hydroxymethyl)cyclopentyl]-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclopentyl]-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclopentyl]-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)NC2CCCC2CO)cn1C.
What is the InChIKey of N-[2-(hydroxymethyl)cyclopentyl]-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is KJFZYZZDQDFBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-8-12-11(6-14(8)2)18(16,17)13-10-5-3-4-9(10)7-15/h6,9-10,13,15H,3-5,7H2,1-2H3.
What are the key properties of N-[2-(hydroxymethyl)cyclopentyl]-1,2-dimethylimidazole-4-sulfonamide?
N-[2-(hydroxymethyl)cyclopentyl]-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclopentyl]-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 103836016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).