N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-1-methylimidazole-4-sulfonamide

C10H17N3O3S — CID 97355129

IUPACN-[(2S)-2-cyclopropyl-2-hydroxypropyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC[C@@](C)(O)C2CC2)c1
InChIInChI=1S/C10H17N3O3S/c1-10(14,8-3-4-8)6-12-17(15,16)9-5-13(2)7-11-9/h5,7-8,12,14H,3-4,6H2,1-2H3/t10-/m1/s1
InChIKeyWCFGWNGOCXJIJQ-SNVBAGLBSA-N
MW259.33 g/mol
LogP-0.14
Rot. Bonds5

About N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-1-methylimidazole-4-sulfonamide

N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-1-methylimidazole-4-sulfonamide (PubChem CID 97355129) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclopropyl-2-hydroxypropyl]-1-methylimidazole-4-sulfonamide
PubChem CID97355129
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC NameN-[(2S)-2-cyclopropyl-2-hydroxypropyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC[C@@](C)(O)C2CC2)c1
InChIInChI=1S/C10H17N3O3S/c1-10(14,8-3-4-8)6-12-17(15,16)9-5-13(2)7-11-9/h5,7-8,12,14H,3-4,6H2,1-2H3/t10-/m1/s1
InChIKeyWCFGWNGOCXJIJQ-SNVBAGLBSA-N
XLogP-0.14
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide
CID 103838100
N-(3-hydroxy-2,2-dimethylpropyl)-1-methylimidazole-4-sulfonamide
CID 115362968
N'-hydroxy-2,2-dimethyl-3-[(1-methylimidazol-4-yl)sulfonylamino]propanimidamide
CID 104873854
N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-1-methylimidazole-4-sulfonamide
CID 97355076
1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazole-4-sulfonamide
CID 97355094
N-(2-bromo-2-cyclopropylethyl)-1-methylimidazole-4-sulfonamide
CID 114294580
N-(2-cyclopropyl-2-hydroxypropyl)benzenesulfonamide
CID 90499346
1-methyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
CID 62541638
3-[(1-methylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62374275
4,4-dimethyl-2-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]pentanoic acid
CID 107474612
1-methyl-N-(2-methylbutan-2-yl)imidazole-4-sulfonamide
CID 46345219
N-(2,3-dihydroxypropyl)-1-methylimidazole-4-sulfonamide
CID 66175851

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-1-methylimidazole-4-sulfonamide (CID 97355129) is N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NC[C@@](C)(O)C2CC2)c1.
What is the InChIKey of N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is WCFGWNGOCXJIJQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-10(14,8-3-4-8)6-12-17(15,16)9-5-13(2)7-11-9/h5,7-8,12,14H,3-4,6H2,1-2H3/t10-/m1/s1.
What are the key properties of N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-1-methylimidazole-4-sulfonamide?
N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 97355129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).