N-cyclobutyl-1-ethyl-N-(3-hydroxypropyl)imidazole-4-sulfonamide

C12H21N3O3S — CID 102847487

IUPACN-cyclobutyl-1-ethyl-N-(3-hydroxypropyl)imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)N(CCCO)C2CCC2)c1
InChIInChI=1S/C12H21N3O3S/c1-2-14-9-12(13-10-14)19(17,18)15(7-4-8-16)11-5-3-6-11/h9-11,16H,2-8H2,1H3
InChIKeyJXRAIWMMECMDKQ-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.83
Rot. Bonds7

About N-cyclobutyl-1-ethyl-N-(3-hydroxypropyl)imidazole-4-sulfonamide

N-cyclobutyl-1-ethyl-N-(3-hydroxypropyl)imidazole-4-sulfonamide (PubChem CID 102847487) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-cyclobutyl-1-ethyl-N-(3-hydroxypropyl)imidazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-1-ethyl-N-(3-hydroxypropyl)imidazole-4-sulfonamide
PubChem CID102847487
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-cyclobutyl-1-ethyl-N-(3-hydroxypropyl)imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)N(CCCO)C2CCC2)c1
InChIInChI=1S/C12H21N3O3S/c1-2-14-9-12(13-10-14)19(17,18)15(7-4-8-16)11-5-3-6-11/h9-11,16H,2-8H2,1H3
InChIKeyJXRAIWMMECMDKQ-UHFFFAOYSA-N
XLogP0.83
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopentyl-(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxyethanimidamide
CID 79369865
1-ethyl-N-piperidin-3-yl-N-propylimidazole-4-sulfonamide
CID 79373627
N-(3-aminopropyl)-N-cyclopentyl-1-methylimidazole-4-sulfonamide
CID 62374937
5-amino-N-cyclobutyl-N-(3-hydroxypropyl)-3-methylimidazole-4-sulfonamide
CID 102859015
N-(2-aminoethyl)-N-cyclohexyl-1-methylimidazole-4-sulfonamide
CID 63766956
N-cyclobutyl-N-(3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide
CID 102847530
N-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide
CID 102847467
N-(2-chloroethyl)-1-ethyl-N-propylimidazole-4-sulfonamide
CID 79372708
1-ethyl-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylimidazole-4-sulfonamide
CID 114088856
2-[(1-ethylimidazol-4-yl)sulfonyl-methylamino]acetic acid
CID 79373799
N-[5-[cyclobutyl(3-hydroxypropyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 102867499
N-cyclopropyl-1-ethylimidazole-4-sulfonamide
CID 79373899

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-1-ethyl-N-(3-hydroxypropyl)imidazole-4-sulfonamide?
The IUPAC name of N-cyclobutyl-1-ethyl-N-(3-hydroxypropyl)imidazole-4-sulfonamide (CID 102847487) is N-cyclobutyl-1-ethyl-N-(3-hydroxypropyl)imidazole-4-sulfonamide.
What is the SMILES notation for N-cyclobutyl-1-ethyl-N-(3-hydroxypropyl)imidazole-4-sulfonamide?
The canonical SMILES for N-cyclobutyl-1-ethyl-N-(3-hydroxypropyl)imidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)N(CCCO)C2CCC2)c1.
What is the InChIKey of N-cyclobutyl-1-ethyl-N-(3-hydroxypropyl)imidazole-4-sulfonamide?
The InChIKey is JXRAIWMMECMDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-2-14-9-12(13-10-14)19(17,18)15(7-4-8-16)11-5-3-6-11/h9-11,16H,2-8H2,1H3.
What are the key properties of N-cyclobutyl-1-ethyl-N-(3-hydroxypropyl)imidazole-4-sulfonamide?
N-cyclobutyl-1-ethyl-N-(3-hydroxypropyl)imidazole-4-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-1-ethyl-N-(3-hydroxypropyl)imidazole-4-sulfonamide is sourced from PubChem (CID 102847487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).