1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol

C8H13N3O3S — CID 62916956

IUPAC1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol
SMILESCn1cnc(S(=O)(=O)N2CCC(O)C2)c1
InChIInChI=1S/C8H13N3O3S/c1-10-5-8(9-6-10)15(13,14)11-3-2-7(12)4-11/h5-7,12H,2-4H2,1H3
InChIKeyXJHLCCMWCIGWFH-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.82
Rot. Bonds2

About 1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol

1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol (PubChem CID 62916956) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol
PubChem CID62916956
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol
SMILESCn1cnc(S(=O)(=O)N2CCC(O)C2)c1
InChIInChI=1S/C8H13N3O3S/c1-10-5-8(9-6-10)15(13,14)11-3-2-7(12)4-11/h5-7,12H,2-4H2,1H3
InChIKeyXJHLCCMWCIGWFH-UHFFFAOYSA-N
XLogP-0.82
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-ol
CID 79373473
4-bromo-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 80673248
3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 119984050
2-(1-methylimidazol-4-yl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 71861370
N-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714982
(3R,4R)-3-fluoro-1-(1-methylimidazol-4-yl)sulfonyl-4-propan-2-ylpiperidine
CID 177300414
(4S)-1-(1-methylimidazol-4-yl)sulfonylazepan-4-amine
CID 95715901
[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine
CID 62374632
2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]acetic acid
CID 62689062
1-(1-methylimidazol-4-yl)sulfonylpiperazine
CID 20735186
(9aR)-8-methyl-2-(1-methylimidazol-4-yl)sulfonyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 124812375
2-methyl-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine
CID 63879798

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol (CID 62916956) is 1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol is Cn1cnc(S(=O)(=O)N2CCC(O)C2)c1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol?
The InChIKey is XJHLCCMWCIGWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-10-5-8(9-6-10)15(13,14)11-3-2-7(12)4-11/h5-7,12H,2-4H2,1H3.
What are the key properties of 1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol?
1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol has a molecular weight of 231.28 g/mol, XLogP of -0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 62916956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).