N-(2,3-dihydroxypropyl)-1-methylimidazole-4-sulfonamide

C7H13N3O4S — CID 66175851

IUPACN-(2,3-dihydroxypropyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC(O)CO)c1
InChIInChI=1S/C7H13N3O4S/c1-10-3-7(8-5-10)15(13,14)9-2-6(12)4-11/h3,5-6,9,11-12H,2,4H2,1H3
InChIKeySWYYKPIFVVTQAE-UHFFFAOYSA-N
MW235.26 g/mol
LogP-1.95
Rot. Bonds5

About N-(2,3-dihydroxypropyl)-1-methylimidazole-4-sulfonamide

N-(2,3-dihydroxypropyl)-1-methylimidazole-4-sulfonamide (PubChem CID 66175851) has the molecular formula C7H13N3O4S and a molecular weight of 235.26 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-1-methylimidazole-4-sulfonamide
PubChem CID66175851
Molecular FormulaC7H13N3O4S
Molecular Weight235.26 g/mol
Exact Mass235.06
IUPAC NameN-(2,3-dihydroxypropyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC(O)CO)c1
InChIInChI=1S/C7H13N3O4S/c1-10-3-7(8-5-10)15(13,14)9-2-6(12)4-11/h3,5-6,9,11-12H,2,4H2,1H3
InChIKeySWYYKPIFVVTQAE-UHFFFAOYSA-N
XLogP-1.95
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 5-1.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-1-methylimidazole-4-sulfonamide (CID 66175851) is N-(2,3-dihydroxypropyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCC(O)CO)c1.
What is the InChIKey of N-(2,3-dihydroxypropyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is SWYYKPIFVVTQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O4S/c1-10-3-7(8-5-10)15(13,14)9-2-6(12)4-11/h3,5-6,9,11-12H,2,4H2,1H3.
What are the key properties of N-(2,3-dihydroxypropyl)-1-methylimidazole-4-sulfonamide?
N-(2,3-dihydroxypropyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 235.26 g/mol, XLogP of -1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 66175851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).