N-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide

C11H19N3O2S — CID 115881173

IUPACN-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2CCC(C)(C)C2)c1
InChIInChI=1S/C11H19N3O2S/c1-11(2)5-4-9(6-11)13-17(15,16)10-7-14(3)8-12-10/h7-9,13H,4-6H2,1-3H3
InChIKeyTWWLARCQUWRMSS-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.28
Rot. Bonds3

About N-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide

N-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide (PubChem CID 115881173) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide
PubChem CID115881173
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2CCC(C)(C)C2)c1
InChIInChI=1S/C11H19N3O2S/c1-11(2)5-4-9(6-11)13-17(15,16)10-7-14(3)8-12-10/h7-9,13H,4-6H2,1-3H3
InChIKeyTWWLARCQUWRMSS-UHFFFAOYSA-N
XLogP1.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide (CID 115881173) is N-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NC2CCC(C)(C)C2)c1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is TWWLARCQUWRMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-11(2)5-4-9(6-11)13-17(15,16)10-7-14(3)8-12-10/h7-9,13H,4-6H2,1-3H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide?
N-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 115881173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).