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

C9H17N3O2S2 — CID 112663218

IUPAC2-ethyl-N-methyl-N-(2-methylsulfanylethyl)-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)N(C)CCSC)[nH]1
InChIInChI=1S/C9H17N3O2S2/c1-4-8-10-7-9(11-8)16(13,14)12(2)5-6-15-3/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyBNKNMGBXXUDEQO-UHFFFAOYSA-N
MW263.39 g/mol
LogP0.96
Rot. Bonds6

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

2-ethyl-N-methyl-N-(2-methylsulfanylethyl)-1H-imidazole-5-sulfonamide (PubChem CID 112663218) has the molecular formula C9H17N3O2S2 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-ethyl-N-methyl-N-(2-methylsulfanylethyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-methyl-N-(2-methylsulfanylethyl)-1H-imidazole-5-sulfonamide
PubChem CID112663218
Molecular FormulaC9H17N3O2S2
Molecular Weight263.39 g/mol
Exact Mass263.08
IUPAC Name2-ethyl-N-methyl-N-(2-methylsulfanylethyl)-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)N(C)CCSC)[nH]1
InChIInChI=1S/C9H17N3O2S2/c1-4-8-10-7-9(11-8)16(13,14)12(2)5-6-15-3/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyBNKNMGBXXUDEQO-UHFFFAOYSA-N
XLogP0.96
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-N-methyl-N-(2-methylsulfanylethyl)-1H-imidazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromopropyl)-2-ethyl-N-methyl-1H-imidazole-5-sulfonamide
CID 80666785
2-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-imidazole-5-sulfonamide
CID 114951122
N-(2-bromoethyl)-2-ethyl-N-propyl-1H-imidazole-5-sulfonamide
CID 80672178
N-[3-(diethylamino)propyl]-N,2-diethyl-1H-imidazole-5-sulfonamide
CID 102995745
2-ethyl-N-(2-hydroxycyclohexyl)-N-methyl-1H-imidazole-5-sulfonamide
CID 102633958
2-ethyl-N-methyl-N-[4-(methylamino)cyclohexyl]-1H-imidazole-5-sulfonamide
CID 79122800
N,2-diethyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide
CID 79470009
5-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide
CID 112656604
2-ethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide
CID 106608449
N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114388857
6-cyano-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 115690499
N-(5-chloropentyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide
CID 107206469

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-N-(2-methylsulfanylethyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-ethyl-N-methyl-N-(2-methylsulfanylethyl)-1H-imidazole-5-sulfonamide (CID 112663218) is 2-ethyl-N-methyl-N-(2-methylsulfanylethyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-ethyl-N-methyl-N-(2-methylsulfanylethyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-ethyl-N-methyl-N-(2-methylsulfanylethyl)-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)N(C)CCSC)[nH]1.
What is the InChIKey of 2-ethyl-N-methyl-N-(2-methylsulfanylethyl)-1H-imidazole-5-sulfonamide?
The InChIKey is BNKNMGBXXUDEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S2/c1-4-8-10-7-9(11-8)16(13,14)12(2)5-6-15-3/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 2-ethyl-N-methyl-N-(2-methylsulfanylethyl)-1H-imidazole-5-sulfonamide?
2-ethyl-N-methyl-N-(2-methylsulfanylethyl)-1H-imidazole-5-sulfonamide has a molecular weight of 263.39 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-N-(2-methylsulfanylethyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 112663218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).