1,5-bis(sulfanyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine

C7H14N2S2 — CID 143632294

IUPAC1,5-bis(sulfanyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine
SMILESSN1CCC2C(CCN2S)C1
InChIInChI=1S/C7H14N2S2/c10-8-3-2-7-6(5-8)1-4-9(7)11/h6-7,10-11H,1-5H2
InChIKeyPXZQLORQZZOBBM-UHFFFAOYSA-N
MW190.34 g/mol
LogP1.07
Rot. Bonds

About 1,5-bis(sulfanyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine

1,5-bis(sulfanyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine (PubChem CID 143632294) has the molecular formula C7H14N2S2 and a molecular weight of 190.34 g/mol. Its IUPAC name is 1,5-bis(sulfanyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1,5-bis(sulfanyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine
PubChem CID143632294
Molecular FormulaC7H14N2S2
Molecular Weight190.34 g/mol
Exact Mass190.06
IUPAC Name1,5-bis(sulfanyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine
SMILESSN1CCC2C(CCN2S)C1
InChIInChI=1S/C7H14N2S2/c10-8-3-2-7-6(5-8)1-4-9(7)11/h6-7,10-11H,1-5H2
InChIKeyPXZQLORQZZOBBM-UHFFFAOYSA-N
XLogP1.07
TPSA6.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,5-bis(sulfanyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine with MolForge

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Related Compounds

3-sulfanyl-3-azabicyclo[3.1.0]hexane
CID 121367107
2-methyl-1-sulfanylazetidine
CID 146506057
2-sulfanyl-2,10-diazabicyclo[5.5.0]dodecane
CID 145369418
3-fluoro-1-sulfanylpiperidine
CID 154686887
1-(1-azabicyclo[3.2.1]octan-4-yl)azetidin-3-amine
CID 105365579
6-benzyl-1-sulfanyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 126566036
(3aR,7aS)-1-methyl-5-propan-2-yl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine
CID 58315229
5-methyl-1-propyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine
CID 130650368
ethane;4-methoxy-1-sulfanylpiperidine
CID 171098636
1,5-diethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 89161720
(3aS,7aR)-1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
CID 148741142
3-sulfanyl-3,8-diazabicyclo[3.2.1]octane
CID 149443562

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(sulfanyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 1,5-bis(sulfanyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine (CID 143632294) is 1,5-bis(sulfanyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1,5-bis(sulfanyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 1,5-bis(sulfanyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine is SN1CCC2C(CCN2S)C1.
What is the InChIKey of 1,5-bis(sulfanyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine?
The InChIKey is PXZQLORQZZOBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S2/c10-8-3-2-7-6(5-8)1-4-9(7)11/h6-7,10-11H,1-5H2.
What are the key properties of 1,5-bis(sulfanyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine?
1,5-bis(sulfanyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine has a molecular weight of 190.34 g/mol, XLogP of 1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(sulfanyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 143632294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).