2-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-imidazole-5-sulfonamide

C12H21N3O3S — CID 114951122

IUPAC2-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)N(C)CC2(O)CCCC2)[nH]1
InChIInChI=1S/C12H21N3O3S/c1-3-10-13-8-11(14-10)19(17,18)15(2)9-12(16)6-4-5-7-12/h8,16H,3-7,9H2,1-2H3,(H,13,14)
InChIKeyJKOSSASYJPWDHG-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.90
Rot. Bonds5

About 2-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-imidazole-5-sulfonamide

2-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-imidazole-5-sulfonamide (PubChem CID 114951122) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-imidazole-5-sulfonamide
PubChem CID114951122
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name2-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)N(C)CC2(O)CCCC2)[nH]1
InChIInChI=1S/C12H21N3O3S/c1-3-10-13-8-11(14-10)19(17,18)15(2)9-12(16)6-4-5-7-12/h8,16H,3-7,9H2,1-2H3,(H,13,14)
InChIKeyJKOSSASYJPWDHG-UHFFFAOYSA-N
XLogP0.90
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-(2-hydroxycyclohexyl)-N-methyl-1H-imidazole-5-sulfonamide
CID 102633958
2-ethyl-N-methyl-N-(2-methylsulfanylethyl)-1H-imidazole-5-sulfonamide
CID 112663218
N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide
CID 103871344
N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide
CID 115867632
1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methylpyrrolidin-3-ol
CID 103357441
1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-2-methylpiperidine-2-carboxylic acid
CID 104595659
N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-2-sulfonamide
CID 115867671
5-bromo-2-hydrazinyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-sulfonamide
CID 114950111
N,2-diethyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide
CID 79470009
3-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid
CID 114948660
4-bromo-N-[(1-hydroxycyclobutyl)methyl]-N-methylbenzenesulfonamide
CID 122141769
2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-sulfonamide
CID 65042707

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-imidazole-5-sulfonamide (CID 114951122) is 2-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)N(C)CC2(O)CCCC2)[nH]1.
What is the InChIKey of 2-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is JKOSSASYJPWDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-3-10-13-8-11(14-10)19(17,18)15(2)9-12(16)6-4-5-7-12/h8,16H,3-7,9H2,1-2H3,(H,13,14).
What are the key properties of 2-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-imidazole-5-sulfonamide?
2-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 114951122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).