2-(disulfanyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol

C7H14N2OS2 — CID 123553604

IUPAC2-(disulfanyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
SMILESOC1CC2CN(SS)CCN2C1
InChIInChI=1S/C7H14N2OS2/c10-7-3-6-4-9(12-11)2-1-8(6)5-7/h6-7,10-11H,1-5H2
InChIKeyKAXAENSQDQDRGJ-UHFFFAOYSA-N
MW206.34 g/mol
LogP0.23
Rot. Bonds1

About 2-(disulfanyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol

2-(disulfanyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (PubChem CID 123553604) has the molecular formula C7H14N2OS2 and a molecular weight of 206.34 g/mol. Its IUPAC name is 2-(disulfanyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol.

Molecular Properties

Compound Name2-(disulfanyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
PubChem CID123553604
Molecular FormulaC7H14N2OS2
Molecular Weight206.34 g/mol
Exact Mass206.05
IUPAC Name2-(disulfanyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
SMILESOC1CC2CN(SS)CCN2C1
InChIInChI=1S/C7H14N2OS2/c10-7-3-6-4-9(12-11)2-1-8(6)5-7/h6-7,10-11H,1-5H2
InChIKeyKAXAENSQDQDRGJ-UHFFFAOYSA-N
XLogP0.23
TPSA26.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.34
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-(disulfanyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol 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

1-azabicyclo[3.1.0]hexan-3-ol
CID 178124587
(7R,8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 167155883
(8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 138720188
2,3,4,5,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a][1,4]diazepine-3,8-diol
CID 123860394
(8R,9aS)-8-hydroxy-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxylic acid
CID 90217851
(8R,9aS)-2,3,4,5,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a][1,4]diazepin-8-ol
CID 131022422
3-[(7R,8aS)-7-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]cyclopentan-1-one
CID 154842378
3-(4-cyclopropylpiperazin-1-yl)cyclopentan-1-ol
CID 79643255
4-[(7R,8aS)-7-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-methylpiperidin-2-one
CID 154842383
(7R,8aS)-2-[(1R)-5-bromo-2,3-dihydro-1H-inden-1-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 171524899
(7R,8aS)-2-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 167849942
(1S,6S,8S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,8-triol
CID 14655858

Frequently Asked Questions

What is the IUPAC name of 2-(disulfanyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The IUPAC name of 2-(disulfanyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (CID 123553604) is 2-(disulfanyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol.
What is the SMILES notation for 2-(disulfanyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The canonical SMILES for 2-(disulfanyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol is OC1CC2CN(SS)CCN2C1.
What is the InChIKey of 2-(disulfanyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The InChIKey is KAXAENSQDQDRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS2/c10-7-3-6-4-9(12-11)2-1-8(6)5-7/h6-7,10-11H,1-5H2.
What are the key properties of 2-(disulfanyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
2-(disulfanyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol has a molecular weight of 206.34 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(disulfanyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol is sourced from PubChem (CID 123553604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).