2-[(dimethylsulfamoylamino)methyl]-1H-imidazole

C6H12N4O2S — CID 64532113

IUPAC2-[(dimethylsulfamoylamino)methyl]-1H-imidazole
SMILESCN(C)S(=O)(=O)NCc1ncc[nH]1
InChIInChI=1S/C6H12N4O2S/c1-10(2)13(11,12)9-5-6-7-3-4-8-6/h3-4,9H,5H2,1-2H3,(H,7,8)
InChIKeyHFUVUFWLFWVSHA-UHFFFAOYSA-N
MW204.25 g/mol
LogP-0.69
Rot. Bonds4

About 2-[(dimethylsulfamoylamino)methyl]-1H-imidazole

2-[(dimethylsulfamoylamino)methyl]-1H-imidazole (PubChem CID 64532113) has the molecular formula C6H12N4O2S and a molecular weight of 204.25 g/mol. Its IUPAC name is 2-[(dimethylsulfamoylamino)methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(dimethylsulfamoylamino)methyl]-1H-imidazole
PubChem CID64532113
Molecular FormulaC6H12N4O2S
Molecular Weight204.25 g/mol
Exact Mass204.07
IUPAC Name2-[(dimethylsulfamoylamino)methyl]-1H-imidazole
SMILESCN(C)S(=O)(=O)NCc1ncc[nH]1
InChIInChI=1S/C6H12N4O2S/c1-10(2)13(11,12)9-5-6-7-3-4-8-6/h3-4,9H,5H2,1-2H3,(H,7,8)
InChIKeyHFUVUFWLFWVSHA-UHFFFAOYSA-N
XLogP-0.69
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-imidazole
CID 64529326
2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1H-imidazole
CID 106069204
1-cyano-N-(1H-imidazol-2-ylmethyl)methanesulfonamide
CID 64529391
4-amino-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64518015
2-amino-N-(1H-imidazol-2-ylmethyl)pyrimidine-5-sulfonamide
CID 64525554
4-acetyl-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64529323
N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide
CID 64531136
1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)methanesulfonamide
CID 110725753
N-[3-(1H-imidazol-2-ylmethylamino)propyl]ethanesulfonamide
CID 119111794
3-amino-N-(1H-imidazol-2-ylmethyl)-5-methylbenzenesulfonamide
CID 64519368
4-amino-3-(1H-imidazol-2-ylmethylamino)-N,N-dimethylbenzenesulfonamide
CID 82901093
2-(ethylaminomethyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 106069257

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylsulfamoylamino)methyl]-1H-imidazole?
The IUPAC name of 2-[(dimethylsulfamoylamino)methyl]-1H-imidazole (CID 64532113) is 2-[(dimethylsulfamoylamino)methyl]-1H-imidazole.
What is the SMILES notation for 2-[(dimethylsulfamoylamino)methyl]-1H-imidazole?
The canonical SMILES for 2-[(dimethylsulfamoylamino)methyl]-1H-imidazole is CN(C)S(=O)(=O)NCc1ncc[nH]1.
What is the InChIKey of 2-[(dimethylsulfamoylamino)methyl]-1H-imidazole?
The InChIKey is HFUVUFWLFWVSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2S/c1-10(2)13(11,12)9-5-6-7-3-4-8-6/h3-4,9H,5H2,1-2H3,(H,7,8).
What are the key properties of 2-[(dimethylsulfamoylamino)methyl]-1H-imidazole?
2-[(dimethylsulfamoylamino)methyl]-1H-imidazole has a molecular weight of 204.25 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylsulfamoylamino)methyl]-1H-imidazole is sourced from PubChem (CID 64532113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).