2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-imidazole-5-sulfonamide

C10H17N3O2S2 — CID 80742802

IUPAC2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC2(C)CCCS2)[nH]1
InChIInChI=1S/C10H17N3O2S2/c1-8-11-6-9(13-8)17(14,15)12-7-10(2)4-3-5-16-10/h6,12H,3-5,7H2,1-2H3,(H,11,13)
InChIKeyCENNXWMGKZVNCP-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.28
Rot. Bonds4

About 2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-imidazole-5-sulfonamide

2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-imidazole-5-sulfonamide (PubChem CID 80742802) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-imidazole-5-sulfonamide
PubChem CID80742802
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC Name2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC2(C)CCCS2)[nH]1
InChIInChI=1S/C10H17N3O2S2/c1-8-11-6-9(13-8)17(14,15)12-7-10(2)4-3-5-16-10/h6,12H,3-5,7H2,1-2H3,(H,11,13)
InChIKeyCENNXWMGKZVNCP-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

2-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-imidazole-5-sulfonamide
CID 113349686
N-[(1-ethylcyclopentyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 103908553
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 112551405
2-methyl-N-(thian-2-ylmethyl)-1H-imidazole-5-sulfonamide
CID 80613171
N-[(2-methylthiolan-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
CID 80743899
4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80742757
2-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-sulfonamide
CID 80527113
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 65121361
3-[(2-methylthiolan-2-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 106597633
4-[(2-methylthiolan-2-yl)methylsulfamoyl]benzenecarbothioamide
CID 80736830
4-amino-2,6-dibromo-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80725860
N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 113349618

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-imidazole-5-sulfonamide (CID 80742802) is 2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCC2(C)CCCS2)[nH]1.
What is the InChIKey of 2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-imidazole-5-sulfonamide?
The InChIKey is CENNXWMGKZVNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-8-11-6-9(13-8)17(14,15)12-7-10(2)4-3-5-16-10/h6,12H,3-5,7H2,1-2H3,(H,11,13).
What are the key properties of 2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-imidazole-5-sulfonamide?
2-methyl-N-[(2-methylthiolan-2-yl)methyl]-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-[(2-methylthiolan-2-yl)methyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 80742802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).