[(2S,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-fluoropyrrolidin-2-yl]methanol

C10H16FN3O3S — CID 128977304

IUPAC[(2S,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-fluoropyrrolidin-2-yl]methanol
SMILESCc1nc(S(=O)(=O)N2C[C@@H](F)C[C@H]2CO)cn1C
InChIInChI=1S/C10H16FN3O3S/c1-7-12-10(5-13(7)2)18(16,17)14-4-8(11)3-9(14)6-15/h5,8-9,15H,3-4,6H2,1-2H3/t8-,9-/m0/s1
InChIKeyMJWHSJACKOHNBZ-IUCAKERBSA-N
MW277.32 g/mol
LogP-0.18
Rot. Bonds3

About [(2S,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-fluoropyrrolidin-2-yl]methanol

[(2S,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-fluoropyrrolidin-2-yl]methanol (PubChem CID 128977304) has the molecular formula C10H16FN3O3S and a molecular weight of 277.32 g/mol. Its IUPAC name is [(2S,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-fluoropyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-fluoropyrrolidin-2-yl]methanol
PubChem CID128977304
Molecular FormulaC10H16FN3O3S
Molecular Weight277.32 g/mol
Exact Mass277.09
IUPAC Name[(2S,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-fluoropyrrolidin-2-yl]methanol
SMILESCc1nc(S(=O)(=O)N2C[C@@H](F)C[C@H]2CO)cn1C
InChIInChI=1S/C10H16FN3O3S/c1-7-12-10(5-13(7)2)18(16,17)14-4-8(11)3-9(14)6-15/h5,8-9,15H,3-4,6H2,1-2H3/t8-,9-/m0/s1
InChIKeyMJWHSJACKOHNBZ-IUCAKERBSA-N
XLogP-0.18
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-fluoropyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-fluoropyrrolidin-2-yl]methanol (CID 128977304) is [(2S,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-fluoropyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-fluoropyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-fluoropyrrolidin-2-yl]methanol is Cc1nc(S(=O)(=O)N2C[C@@H](F)C[C@H]2CO)cn1C.
What is the InChIKey of [(2S,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-fluoropyrrolidin-2-yl]methanol?
The InChIKey is MJWHSJACKOHNBZ-IUCAKERBSA-N. The full InChI is InChI=1S/C10H16FN3O3S/c1-7-12-10(5-13(7)2)18(16,17)14-4-8(11)3-9(14)6-15/h5,8-9,15H,3-4,6H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of [(2S,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-fluoropyrrolidin-2-yl]methanol?
[(2S,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-fluoropyrrolidin-2-yl]methanol has a molecular weight of 277.32 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-fluoropyrrolidin-2-yl]methanol is sourced from PubChem (CID 128977304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).