1-(piperidin-4-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine

C14H26N2O2S — CID 65319979

IUPAC1-(piperidin-4-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESO=S(=O)(CC1CCNCC1)N1CCCC2CCCC21
InChIInChI=1S/C14H26N2O2S/c17-19(18,11-12-6-8-15-9-7-12)16-10-2-4-13-3-1-5-14(13)16/h12-15H,1-11H2
InChIKeyDELQYSIBLQWMNW-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.58
Rot. Bonds3

About 1-(piperidin-4-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine

1-(piperidin-4-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine (PubChem CID 65319979) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-(piperidin-4-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine.

Molecular Properties

Compound Name1-(piperidin-4-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
PubChem CID65319979
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name1-(piperidin-4-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESO=S(=O)(CC1CCNCC1)N1CCCC2CCCC21
InChIInChI=1S/C14H26N2O2S/c17-19(18,11-12-6-8-15-9-7-12)16-10-2-4-13-3-1-5-14(13)16/h12-15H,1-11H2
InChIKeyDELQYSIBLQWMNW-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320272
4-(1-ethylsulfonylpyrrolidin-2-yl)piperidine
CID 60979368
2-cyclobutyl-1-ethylsulfonylpyrrolidine
CID 110871924
1-methyl-6-(piperidin-4-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81200204
1-(2-piperidin-4-ylpyrrolidin-1-yl)sulfonylpiperidine
CID 60977886
3-[1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-2-yl]piperidine
CID 63247204
1-propylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 60580514
1-(2-methoxyethylsulfonyl)-2-piperidin-4-ylazepane
CID 64611469
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)propanoic acid
CID 65319025
[1-(cyclopropylmethylsulfonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 64989078
1-(2-cyclopropylethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole
CID 127941409
2-cyclohexyl-1-propylsulfonylpyrrolidine
CID 61384313

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-4-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The IUPAC name of 1-(piperidin-4-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine (CID 65319979) is 1-(piperidin-4-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine.
What is the SMILES notation for 1-(piperidin-4-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The canonical SMILES for 1-(piperidin-4-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine is O=S(=O)(CC1CCNCC1)N1CCCC2CCCC21.
What is the InChIKey of 1-(piperidin-4-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The InChIKey is DELQYSIBLQWMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c17-19(18,11-12-6-8-15-9-7-12)16-10-2-4-13-3-1-5-14(13)16/h12-15H,1-11H2.
What are the key properties of 1-(piperidin-4-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
1-(piperidin-4-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine has a molecular weight of 286.44 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-4-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine is sourced from PubChem (CID 65319979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).