1-(1H-imidazol-5-ylsulfonyl)-N-methylmethanamine

C5H9N3O2S — CID 161081196

IUPAC1-(1H-imidazol-5-ylsulfonyl)-N-methylmethanamine
SMILESCNCS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C5H9N3O2S/c1-6-4-11(9,10)5-2-7-3-8-5/h2-3,6H,4H2,1H3,(H,7,8)
InChIKeyUFXXTFIJYZQGSN-UHFFFAOYSA-N
MW175.21 g/mol
LogP-0.64
Rot. Bonds3

About 1-(1H-imidazol-5-ylsulfonyl)-N-methylmethanamine

1-(1H-imidazol-5-ylsulfonyl)-N-methylmethanamine (PubChem CID 161081196) has the molecular formula C5H9N3O2S and a molecular weight of 175.21 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-N-methylmethanamine
PubChem CID161081196
Molecular FormulaC5H9N3O2S
Molecular Weight175.21 g/mol
Exact Mass175.04
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-N-methylmethanamine
SMILESCNCS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C5H9N3O2S/c1-6-4-11(9,10)5-2-7-3-8-5/h2-3,6H,4H2,1H3,(H,7,8)
InChIKeyUFXXTFIJYZQGSN-UHFFFAOYSA-N
XLogP-0.64
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-(methylamino)ethyl]-1H-imidazole-5-sulfonamide;hydrochloride
CID 120718169
5-(4-chlorobutylsulfonyl)-1H-imidazole
CID 57119897
N-(5-methylhexyl)-1H-imidazole-5-sulfonamide
CID 79002686
N-[3-(methanesulfonamido)propyl]-1H-imidazole-5-sulfonamide
CID 103680413
N-(2-propan-2-yloxyethyl)-1H-imidazole-5-sulfonamide
CID 104600676
N-(6-methylsulfanylhexyl)-1H-imidazole-5-sulfonamide
CID 113414965
N-(4-bromobutyl)-1H-imidazole-5-sulfonamide
CID 106846730
N-ethyl-N-(3-hydroxypropyl)-1H-imidazole-5-sulfonamide
CID 115755526
N-(5-chloro-4-methylpentyl)-1H-imidazole-5-sulfonamide
CID 106158955
3-(1H-imidazol-5-ylsulfonylamino)-N,2,2-trimethylpropanamide
CID 103824162
N-[2-(ethylsulfamoyl)ethyl]-1H-imidazole-5-sulfonamide
CID 103680432
N-(1-methoxy-2-methylpropan-2-yl)-1H-imidazole-5-sulfonamide
CID 115640418

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-methylmethanamine?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-methylmethanamine (CID 161081196) is 1-(1H-imidazol-5-ylsulfonyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-N-methylmethanamine?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-N-methylmethanamine is CNCS(=O)(=O)c1cnc[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-N-methylmethanamine?
The InChIKey is UFXXTFIJYZQGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2S/c1-6-4-11(9,10)5-2-7-3-8-5/h2-3,6H,4H2,1H3,(H,7,8).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)-N-methylmethanamine?
1-(1H-imidazol-5-ylsulfonyl)-N-methylmethanamine has a molecular weight of 175.21 g/mol, XLogP of -0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylsulfonyl)-N-methylmethanamine is sourced from PubChem (CID 161081196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).