3a-methylsulfanyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole

C7H14N2S — CID 10607039

IUPAC3a-methylsulfanyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
SMILESCSC12CCNC1CNC2
InChIInChI=1S/C7H14N2S/c1-10-7-2-3-9-6(7)4-8-5-7/h6,8-9H,2-5H2,1H3
InChIKeyGHYIJRJDWNELKH-UHFFFAOYSA-N
MW158.27 g/mol
LogP0.05
Rot. Bonds1

About 3a-methylsulfanyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole

3a-methylsulfanyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole (PubChem CID 10607039) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 3a-methylsulfanyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name3a-methylsulfanyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
PubChem CID10607039
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name3a-methylsulfanyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
SMILESCSC12CCNC1CNC2
InChIInChI=1S/C7H14N2S/c1-10-7-2-3-9-6(7)4-8-5-7/h6,8-9H,2-5H2,1H3
InChIKeyGHYIJRJDWNELKH-UHFFFAOYSA-N
XLogP0.05
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3a-methylsulfanyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole with MolForge

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Related Compounds

methyl (3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-3a-carboxylate
CID 167739534
(2S)-2,5,5-trimethyl-1,4-diazepane
CID 172679311
(3S)-3-fluoro-3-methyl-5-methylsulfanylpiperidine
CID 167133113
3-ethyl-3-methyl-2-(1-methylsulfanylcyclopropyl)azetidine
CID 130575162
(3S)-3-methyl-3-methylsulfanylpyrrolidine
CID 146248048
methanamine;7-methyl-5-azaspiro[2.4]heptane
CID 142211160
7-methyl-5,8-diazaspiro[2.6]nonane
CID 66654182
(4aS)-4a-methyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 176835290
1-methyl-3-azabicyclo[3.2.1]octane
CID 55286397
2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-ol
CID 83669929
ethane;7-methyl-5-azaspiro[2.5]octane
CID 144927405
3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;hydrofluoride
CID 177136763

Frequently Asked Questions

What is the IUPAC name of 3a-methylsulfanyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole?
The IUPAC name of 3a-methylsulfanyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole (CID 10607039) is 3a-methylsulfanyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 3a-methylsulfanyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole?
The canonical SMILES for 3a-methylsulfanyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole is CSC12CCNC1CNC2.
What is the InChIKey of 3a-methylsulfanyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole?
The InChIKey is GHYIJRJDWNELKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-10-7-2-3-9-6(7)4-8-5-7/h6,8-9H,2-5H2,1H3.
What are the key properties of 3a-methylsulfanyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole?
3a-methylsulfanyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole has a molecular weight of 158.27 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-methylsulfanyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 10607039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).