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

C14H25N3O3S — CID 64913069

IUPACN-[(2-hydroxycyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC2CCCCC2O)nc1C
InChIInChI=1S/C14H25N3O3S/c1-3-8-17-10-14(16-11(17)2)21(19,20)15-9-12-6-4-5-7-13(12)18/h10,12-13,15,18H,3-9H2,1-2H3
InChIKeyGIBUHWIOVHBSNV-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.43
Rot. Bonds6

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

N-[(2-hydroxycyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide (PubChem CID 64913069) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide
PubChem CID64913069
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC2CCCCC2O)nc1C
InChIInChI=1S/C14H25N3O3S/c1-3-8-17-10-14(16-11(17)2)21(19,20)15-9-12-6-4-5-7-13(12)18/h10,12-13,15,18H,3-9H2,1-2H3
InChIKeyGIBUHWIOVHBSNV-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

2-methyl-N-(piperidin-3-ylmethyl)-1-propylimidazole-4-sulfonamide
CID 62066613
N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 106364611
N-[(3-chlorocyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 106136076
N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62065157
2-methyl-N-[(6-methylpiperidin-3-yl)methyl]-1-propylimidazole-4-sulfonamide
CID 63009236
N-(2-amino-2-cyclopropylethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 63765092
N-(2-bromoethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62064291
2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide
CID 64592125
3-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66032749
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 115365860
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 115456592
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 114758603

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide (CID 64913069) is N-[(2-hydroxycyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCC2CCCCC2O)nc1C.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide?
The InChIKey is GIBUHWIOVHBSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-3-8-17-10-14(16-11(17)2)21(19,20)15-9-12-6-4-5-7-13(12)18/h10,12-13,15,18H,3-9H2,1-2H3.
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide?
N-[(2-hydroxycyclohexyl)methyl]-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-hydroxycyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 64913069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).