2-ethyl-N-(2-hydroxycyclohexyl)-N-methyl-1H-imidazole-5-sulfonamide

C12H21N3O3S — CID 102633958

IUPAC2-ethyl-N-(2-hydroxycyclohexyl)-N-methyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)N(C)C2CCCCC2O)[nH]1
InChIInChI=1S/C12H21N3O3S/c1-3-11-13-8-12(14-11)19(17,18)15(2)9-6-4-5-7-10(9)16/h8-10,16H,3-7H2,1-2H3,(H,13,14)
InChIKeyJGHGSULPWUCDPB-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.90
Rot. Bonds4

About 2-ethyl-N-(2-hydroxycyclohexyl)-N-methyl-1H-imidazole-5-sulfonamide

2-ethyl-N-(2-hydroxycyclohexyl)-N-methyl-1H-imidazole-5-sulfonamide (PubChem CID 102633958) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-ethyl-N-(2-hydroxycyclohexyl)-N-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-(2-hydroxycyclohexyl)-N-methyl-1H-imidazole-5-sulfonamide
PubChem CID102633958
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name2-ethyl-N-(2-hydroxycyclohexyl)-N-methyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)N(C)C2CCCCC2O)[nH]1
InChIInChI=1S/C12H21N3O3S/c1-3-11-13-8-12(14-11)19(17,18)15(2)9-6-4-5-7-10(9)16/h8-10,16H,3-7H2,1-2H3,(H,13,14)
InChIKeyJGHGSULPWUCDPB-UHFFFAOYSA-N
XLogP0.90
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-methyl-N-[4-(methylamino)cyclohexyl]-1H-imidazole-5-sulfonamide
CID 79122800
2-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-imidazole-5-sulfonamide
CID 114951122
N-(2-bromopropyl)-2-ethyl-N-methyl-1H-imidazole-5-sulfonamide
CID 80666785
2-ethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide
CID 106608449
2-ethyl-N-methyl-N-(2-methylsulfanylethyl)-1H-imidazole-5-sulfonamide
CID 112663218
N-[3-(diethylamino)propyl]-N,2-diethyl-1H-imidazole-5-sulfonamide
CID 102995745
6-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide
CID 102631872
2-(bromomethyl)-1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]piperidine
CID 80676618
N-(2-bromoethyl)-2-ethyl-N-propyl-1H-imidazole-5-sulfonamide
CID 80672178
N,2-diethyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide
CID 79470009
2-[(2-hydroxycyclohexyl)-methylamino]cycloheptan-1-ol
CID 102635791
N-(2-cyclopropylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 113476004

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-hydroxycyclohexyl)-N-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-ethyl-N-(2-hydroxycyclohexyl)-N-methyl-1H-imidazole-5-sulfonamide (CID 102633958) is 2-ethyl-N-(2-hydroxycyclohexyl)-N-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-ethyl-N-(2-hydroxycyclohexyl)-N-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-ethyl-N-(2-hydroxycyclohexyl)-N-methyl-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)N(C)C2CCCCC2O)[nH]1.
What is the InChIKey of 2-ethyl-N-(2-hydroxycyclohexyl)-N-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is JGHGSULPWUCDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-3-11-13-8-12(14-11)19(17,18)15(2)9-6-4-5-7-10(9)16/h8-10,16H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-ethyl-N-(2-hydroxycyclohexyl)-N-methyl-1H-imidazole-5-sulfonamide?
2-ethyl-N-(2-hydroxycyclohexyl)-N-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-hydroxycyclohexyl)-N-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 102633958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).