2-methyl-N-(thian-2-ylmethyl)-1H-imidazole-5-sulfonamide

C10H17N3O2S2 — CID 80613171

IUPAC2-methyl-N-(thian-2-ylmethyl)-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC2CCCCS2)[nH]1
InChIInChI=1S/C10H17N3O2S2/c1-8-11-7-10(13-8)17(14,15)12-6-9-4-2-3-5-16-9/h7,9,12H,2-6H2,1H3,(H,11,13)
InChIKeyQLWFOARUUGUSFF-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.28
Rot. Bonds4

About 2-methyl-N-(thian-2-ylmethyl)-1H-imidazole-5-sulfonamide

2-methyl-N-(thian-2-ylmethyl)-1H-imidazole-5-sulfonamide (PubChem CID 80613171) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-methyl-N-(thian-2-ylmethyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(thian-2-ylmethyl)-1H-imidazole-5-sulfonamide
PubChem CID80613171
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC Name2-methyl-N-(thian-2-ylmethyl)-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC2CCCCS2)[nH]1
InChIInChI=1S/C10H17N3O2S2/c1-8-11-7-10(13-8)17(14,15)12-6-9-4-2-3-5-16-9/h7,9,12H,2-6H2,1H3,(H,11,13)
InChIKeyQLWFOARUUGUSFF-UHFFFAOYSA-N
XLogP1.28
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 113271323
N-[(3-chlorocyclobutyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 66004178
2-amino-N-(thian-2-ylmethyl)pyrimidine-5-sulfonamide
CID 80613102
2-methyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide
CID 114955867
4-methyl-2-oxo-N-(thian-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide
CID 80613260
2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-imidazole-5-sulfonamide
CID 80742802
N-[2-(bromomethyl)cyclohexyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 114179797
N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 113349618
5-bromo-2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-3-sulfonamide
CID 80599938
N-[(1-ethylcyclopentyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 103908553
N-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 103908329
N-(2-hydroxy-2-methylpropyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 65109036

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(thian-2-ylmethyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-(thian-2-ylmethyl)-1H-imidazole-5-sulfonamide (CID 80613171) is 2-methyl-N-(thian-2-ylmethyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-(thian-2-ylmethyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-(thian-2-ylmethyl)-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCC2CCCCS2)[nH]1.
What is the InChIKey of 2-methyl-N-(thian-2-ylmethyl)-1H-imidazole-5-sulfonamide?
The InChIKey is QLWFOARUUGUSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-8-11-7-10(13-8)17(14,15)12-6-9-4-2-3-5-16-9/h7,9,12H,2-6H2,1H3,(H,11,13).
What are the key properties of 2-methyl-N-(thian-2-ylmethyl)-1H-imidazole-5-sulfonamide?
2-methyl-N-(thian-2-ylmethyl)-1H-imidazole-5-sulfonamide has a molecular weight of 275.40 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(thian-2-ylmethyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 80613171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).