5-[(sulfamoylamino)methyl]-1H-imidazole

C4H8N4O2S — CID 57034342

IUPAC5-[(sulfamoylamino)methyl]-1H-imidazole
SMILESNS(=O)(=O)NCc1cnc[nH]1
InChIInChI=1S/C4H8N4O2S/c5-11(9,10)8-2-4-1-6-3-7-4/h1,3,8H,2H2,(H,6,7)(H2,5,9,10)
InChIKeyMJPMXUUYMYIJBH-UHFFFAOYSA-N
MW176.20 g/mol
LogP-1.30
Rot. Bonds3

About 5-[(sulfamoylamino)methyl]-1H-imidazole

5-[(sulfamoylamino)methyl]-1H-imidazole (PubChem CID 57034342) has the molecular formula C4H8N4O2S and a molecular weight of 176.20 g/mol. Its IUPAC name is 5-[(sulfamoylamino)methyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(sulfamoylamino)methyl]-1H-imidazole
PubChem CID57034342
Molecular FormulaC4H8N4O2S
Molecular Weight176.20 g/mol
Exact Mass176.04
IUPAC Name5-[(sulfamoylamino)methyl]-1H-imidazole
SMILESNS(=O)(=O)NCc1cnc[nH]1
InChIInChI=1S/C4H8N4O2S/c5-11(9,10)8-2-4-1-6-3-7-4/h1,3,8H,2H2,(H,6,7)(H2,5,9,10)
InChIKeyMJPMXUUYMYIJBH-UHFFFAOYSA-N
XLogP-1.30
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-5-ylmethyl)-3-(methylamino)propane-1-sulfonamide
CID 106069679
3-amino-2,4-difluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide
CID 107343653
1-(1H-imidazol-5-yl)-N-methylmethanamine
CID 20675588
N-(1H-imidazol-5-ylmethyl)-2-methylsulfonylethanamine
CID 62761589
4-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 114141590
4-(aminomethyl)-2-fluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide
CID 106069704
2-(1H-imidazol-5-ylmethylamino)-N-methylethanesulfonamide
CID 102674753
methyl (2S)-2-(1H-imidazol-5-ylmethylamino)propanoate
CID 62763548
4-chloro-3-(1H-imidazol-5-ylmethylamino)benzenesulfonamide
CID 62763734
N-(1H-imidazol-5-ylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106069732
2-oxo-4-[(sulfamoylamino)methyl]-1,3-dihydroimidazole
CID 127014938
N-(1H-imidazol-5-ylmethyl)-3-methoxybenzenesulfonamide
CID 81258965

Frequently Asked Questions

What is the IUPAC name of 5-[(sulfamoylamino)methyl]-1H-imidazole?
The IUPAC name of 5-[(sulfamoylamino)methyl]-1H-imidazole (CID 57034342) is 5-[(sulfamoylamino)methyl]-1H-imidazole.
What is the SMILES notation for 5-[(sulfamoylamino)methyl]-1H-imidazole?
The canonical SMILES for 5-[(sulfamoylamino)methyl]-1H-imidazole is NS(=O)(=O)NCc1cnc[nH]1.
What is the InChIKey of 5-[(sulfamoylamino)methyl]-1H-imidazole?
The InChIKey is MJPMXUUYMYIJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O2S/c5-11(9,10)8-2-4-1-6-3-7-4/h1,3,8H,2H2,(H,6,7)(H2,5,9,10).
What are the key properties of 5-[(sulfamoylamino)methyl]-1H-imidazole?
5-[(sulfamoylamino)methyl]-1H-imidazole has a molecular weight of 176.20 g/mol, XLogP of -1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(sulfamoylamino)methyl]-1H-imidazole is sourced from PubChem (CID 57034342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).