3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-imino-methyl-oxo-λ6-sulfane;hydrochloride

C8H17ClN2OS — CID 172880436

IUPAC3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-imino-methyl-oxo-λ6-sulfane;hydrochloride
SMILESCl.[H]N=S(C)(=O)N1CC2CCCC2C1
InChIInChI=1S/C8H16N2OS.ClH/c1-12(9,11)10-5-7-3-2-4-8(7)6-10;/h7-9H,2-6H2,1H3;1H
InChIKeyVBGOCIMNPILQPS-UHFFFAOYSA-N
MW224.76 g/mol
LogP1.73
Rot. Bonds1

About 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-imino-methyl-oxo-λ6-sulfane;hydrochloride

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-imino-methyl-oxo-λ6-sulfane;hydrochloride (PubChem CID 172880436) has the molecular formula C8H17ClN2OS and a molecular weight of 224.76 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-imino-methyl-oxo-λ6-sulfane;hydrochloride.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-imino-methyl-oxo-λ6-sulfane;hydrochloride
PubChem CID172880436
Molecular FormulaC8H17ClN2OS
Molecular Weight224.76 g/mol
Exact Mass224.08
IUPAC Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-imino-methyl-oxo-λ6-sulfane;hydrochloride
SMILESCl.[H]N=S(C)(=O)N1CC2CCCC2C1
InChIInChI=1S/C8H16N2OS.ClH/c1-12(9,11)10-5-7-3-2-4-8(7)6-10;/h7-9H,2-6H2,1H3;1H
InChIKeyVBGOCIMNPILQPS-UHFFFAOYSA-N
XLogP1.73
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.76
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-imino-methyl-oxo-λ6-sulfane;hydrochloride with MolForge

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Related Compounds

(4-cyclobutylpiperidin-1-yl)-imino-methyl-oxo-λ6-sulfane
CID 164651451
cyclobutyl-imino-methyl-oxo-λ6-sulfane
CID 167262038
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)ethanamine
CID 115559716
2-piperidin-4-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115560497
2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 12847769
(3aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142336980
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-4-methyl-3H-1,3-thiazol-2-one
CID 113336018
cyclopropyl-imino-oxo-piperidin-1-yl-λ6-sulfane;hydrochloride
CID 172909610
1-(methylsulfonimidoyl)piperidin-4-one;hydrochloride
CID 172898076
3-methylsulfonyl-3-azabicyclo[3.3.1]nonane
CID 130479813
ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 91339086
(2S)-4-[[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]-2-methylmorpholine
CID 97024717

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-imino-methyl-oxo-λ6-sulfane;hydrochloride?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-imino-methyl-oxo-λ6-sulfane;hydrochloride (CID 172880436) is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-imino-methyl-oxo-λ6-sulfane;hydrochloride.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-imino-methyl-oxo-λ6-sulfane;hydrochloride?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-imino-methyl-oxo-λ6-sulfane;hydrochloride is Cl.[H]N=S(C)(=O)N1CC2CCCC2C1.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-imino-methyl-oxo-λ6-sulfane;hydrochloride?
The InChIKey is VBGOCIMNPILQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS.ClH/c1-12(9,11)10-5-7-3-2-4-8(7)6-10;/h7-9H,2-6H2,1H3;1H.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-imino-methyl-oxo-λ6-sulfane;hydrochloride?
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-imino-methyl-oxo-λ6-sulfane;hydrochloride has a molecular weight of 224.76 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-imino-methyl-oxo-λ6-sulfane;hydrochloride is sourced from PubChem (CID 172880436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).