3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propane-1-sulfonyl chloride

C11H20ClNO2S — CID 112594724

IUPAC3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCN1CCCC2CCCC21
InChIInChI=1S/C11H20ClNO2S/c12-16(14,15)9-3-8-13-7-2-5-10-4-1-6-11(10)13/h10-11H,1-9H2
InChIKeyGPFAOISQUBDYDO-UHFFFAOYSA-N
MW265.81 g/mol
LogP2.21
Rot. Bonds4

About 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propane-1-sulfonyl chloride

3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propane-1-sulfonyl chloride (PubChem CID 112594724) has the molecular formula C11H20ClNO2S and a molecular weight of 265.81 g/mol. Its IUPAC name is 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propane-1-sulfonyl chloride
PubChem CID112594724
Molecular FormulaC11H20ClNO2S
Molecular Weight265.81 g/mol
Exact Mass265.09
IUPAC Name3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCN1CCCC2CCCC21
InChIInChI=1S/C11H20ClNO2S/c12-16(14,15)9-3-8-13-7-2-5-10-4-1-6-11(10)13/h10-11H,1-9H2
InChIKeyGPFAOISQUBDYDO-UHFFFAOYSA-N
XLogP2.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propane-1-sulfonyl chloride with MolForge

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Related Compounds

3-(2-methylpiperidin-1-yl)propane-1-sulfonyl chloride
CID 102548986
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propan-1-ol
CID 65319985
3-(2-propan-2-ylpyrrolidin-1-yl)propane-1-sulfonyl chloride
CID 112594739
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]hexane-1-thiol
CID 102729068
7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)heptan-1-amine
CID 43628297
5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pentane-1-thiol
CID 102729051
methyl 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanoate
CID 65319761
3-(3-methylpiperidin-1-yl)propane-1-sulfonyl chloride
CID 102548987
3-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)propan-1-ol
CID 130620337
1-(3-methylsulfonylpropyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681509
1-pent-4-ynyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 115872657
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propylpropan-1-amine
CID 55070651

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propane-1-sulfonyl chloride?
The IUPAC name of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propane-1-sulfonyl chloride (CID 112594724) is 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propane-1-sulfonyl chloride.
What is the SMILES notation for 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propane-1-sulfonyl chloride?
The canonical SMILES for 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propane-1-sulfonyl chloride is O=S(=O)(Cl)CCCN1CCCC2CCCC21.
What is the InChIKey of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propane-1-sulfonyl chloride?
The InChIKey is GPFAOISQUBDYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2S/c12-16(14,15)9-3-8-13-7-2-5-10-4-1-6-11(10)13/h10-11H,1-9H2.
What are the key properties of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propane-1-sulfonyl chloride?
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propane-1-sulfonyl chloride has a molecular weight of 265.81 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propane-1-sulfonyl chloride is sourced from PubChem (CID 112594724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).