N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-1-propylimidazole-4-sulfonamide

C14H25N3O3S — CID 106364611

IUPACN-[2-(hydroxymethyl)cyclohexyl]-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC2CCCCC2CO)nc1C
InChIInChI=1S/C14H25N3O3S/c1-3-8-17-9-14(15-11(17)2)21(19,20)16-13-7-5-4-6-12(13)10-18/h9,12-13,16,18H,3-8,10H2,1-2H3
InChIKeyXIBOVTCJXFZBID-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.43
Rot. Bonds6

About N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-1-propylimidazole-4-sulfonamide

N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-1-propylimidazole-4-sulfonamide (PubChem CID 106364611) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclohexyl]-2-methyl-1-propylimidazole-4-sulfonamide
PubChem CID106364611
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC NameN-[2-(hydroxymethyl)cyclohexyl]-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC2CCCCC2CO)nc1C
InChIInChI=1S/C14H25N3O3S/c1-3-8-17-9-14(15-11(17)2)21(19,20)16-13-7-5-4-6-12(13)10-18/h9,12-13,16,18H,3-8,10H2,1-2H3
InChIKeyXIBOVTCJXFZBID-UHFFFAOYSA-N
XLogP1.43
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(hydroxymethyl)cyclopentyl]-1,2-dimethylimidazole-4-sulfonamide
CID 103836016
1-ethyl-N-[2-(2-hydroxyethyl)cyclopentyl]-2-methylimidazole-4-sulfonamide
CID 136533396
N-[(2-hydroxycyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 64913069
N-[2-(aminomethyl)cyclopentyl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 55153288
3-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66032749
N-[(2S)-1-hydroxybutan-2-yl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 104981934
N-(3-aminocyclobutyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 55030774
N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide
CID 64591191
N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62065157
2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62062312
1-ethyl-2-methyl-N-(2-methylpiperidin-3-yl)imidazole-4-sulfonamide
CID 79043531
N-(2-bromoethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62064291

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-1-propylimidazole-4-sulfonamide (CID 106364611) is N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NC2CCCCC2CO)nc1C.
What is the InChIKey of N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-1-propylimidazole-4-sulfonamide?
The InChIKey is XIBOVTCJXFZBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-3-8-17-9-14(15-11(17)2)21(19,20)16-13-7-5-4-6-12(13)10-18/h9,12-13,16,18H,3-8,10H2,1-2H3.
What are the key properties of N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-1-propylimidazole-4-sulfonamide?
N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-1-propylimidazole-4-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 106364611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).