[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-3-fluorophenyl]methanol

C14H19FN2O3S — CID 79935876

IUPAC[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-3-fluorophenyl]methanol
SMILESO=S(=O)(c1ccc(CO)cc1F)N1CCN2CCCC2C1
InChIInChI=1S/C14H19FN2O3S/c15-13-8-11(10-18)3-4-14(13)21(19,20)17-7-6-16-5-1-2-12(16)9-17/h3-4,8,12,18H,1-2,5-7,9-10H2
InChIKeyHKSRLSSZAMDSEU-UHFFFAOYSA-N
MW314.38 g/mol
LogP0.79
Rot. Bonds3

About [4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-3-fluorophenyl]methanol

[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-3-fluorophenyl]methanol (PubChem CID 79935876) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is [4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-3-fluorophenyl]methanol
PubChem CID79935876
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC Name[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-3-fluorophenyl]methanol
SMILESO=S(=O)(c1ccc(CO)cc1F)N1CCN2CCCC2C1
InChIInChI=1S/C14H19FN2O3S/c15-13-8-11(10-18)3-4-14(13)21(19,20)17-7-6-16-5-1-2-12(16)9-17/h3-4,8,12,18H,1-2,5-7,9-10H2
InChIKeyHKSRLSSZAMDSEU-UHFFFAOYSA-N
XLogP0.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-3-fluorophenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-4-bromophenyl]methanol
CID 79935973
[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)phenyl]methanol
CID 79937525
[4-[3-(dimethylamino)piperidin-1-yl]sulfonyl-3-fluorophenyl]methanol
CID 79178793
[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-2-fluorophenyl]methanol
CID 79935533
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)phenyl]methanol
CID 79937246
[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-fluorophenyl]methanol
CID 79943710
1-(2-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine
CID 61046286
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-fluorophenyl]methanol
CID 104961473
[4-(2,3-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol
CID 79186814
[4-(2-ethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanol
CID 79187593
[3-fluoro-4-(1,4-oxazepan-4-ylsulfonyl)phenyl]methanol
CID 79187528
(4-cyclopropylsulfonyl-3-fluorophenyl)methanol
CID 84693412

Frequently Asked Questions

What is the IUPAC name of [4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-3-fluorophenyl]methanol?
The IUPAC name of [4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-3-fluorophenyl]methanol (CID 79935876) is [4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-3-fluorophenyl]methanol.
What is the SMILES notation for [4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-3-fluorophenyl]methanol?
The canonical SMILES for [4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-3-fluorophenyl]methanol is O=S(=O)(c1ccc(CO)cc1F)N1CCN2CCCC2C1.
What is the InChIKey of [4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-3-fluorophenyl]methanol?
The InChIKey is HKSRLSSZAMDSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c15-13-8-11(10-18)3-4-14(13)21(19,20)17-7-6-16-5-1-2-12(16)9-17/h3-4,8,12,18H,1-2,5-7,9-10H2.
What are the key properties of [4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-3-fluorophenyl]methanol?
[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-3-fluorophenyl]methanol has a molecular weight of 314.38 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-3-fluorophenyl]methanol is sourced from PubChem (CID 79935876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).