N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-sulfonamide

C13H19N5O2S — CID 91923843

IUPACN-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-sulfonamide
SMILESCc1cnc(CCNS(=O)(=O)c2cn(C)cn2)n1C1CC1
InChIInChI=1S/C13H19N5O2S/c1-10-7-14-12(18(10)11-3-4-11)5-6-16-21(19,20)13-8-17(2)9-15-13/h7-9,11,16H,3-6H2,1-2H3
InChIKeyQGZWIAYMGWBIAP-UHFFFAOYSA-N
MW309.40 g/mol
LogP0.78
Rot. Bonds6

About N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-sulfonamide

N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-sulfonamide (PubChem CID 91923843) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-sulfonamide
PubChem CID91923843
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC NameN-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-sulfonamide
SMILESCc1cnc(CCNS(=O)(=O)c2cn(C)cn2)n1C1CC1
InChIInChI=1S/C13H19N5O2S/c1-10-7-14-12(18(10)11-3-4-11)5-6-16-21(19,20)13-8-17(2)9-15-13/h7-9,11,16H,3-6H2,1-2H3
InChIKeyQGZWIAYMGWBIAP-UHFFFAOYSA-N
XLogP0.78
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-sulfonamide (CID 91923843) is N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-sulfonamide is Cc1cnc(CCNS(=O)(=O)c2cn(C)cn2)n1C1CC1.
What is the InChIKey of N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is QGZWIAYMGWBIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-10-7-14-12(18(10)11-3-4-11)5-6-16-21(19,20)13-8-17(2)9-15-13/h7-9,11,16H,3-6H2,1-2H3.
What are the key properties of N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-sulfonamide?
N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 309.40 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 91923843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).