3-[1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-2-yl]piperidine

C14H26N2O3S — CID 63247204

IUPAC3-[1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-2-yl]piperidine
SMILESO=S(=O)(CC1CCCO1)N1CCCC1C1CCCNC1
InChIInChI=1S/C14H26N2O3S/c17-20(18,11-13-5-3-9-19-13)16-8-2-6-14(16)12-4-1-7-15-10-12/h12-15H,1-11H2
InChIKeyBWEYVCOKGHDITO-UHFFFAOYSA-N
MW302.44 g/mol
LogP0.96
Rot. Bonds4

About 3-[1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-2-yl]piperidine

3-[1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-2-yl]piperidine (PubChem CID 63247204) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is 3-[1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-2-yl]piperidine.

Molecular Properties

Compound Name3-[1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-2-yl]piperidine
PubChem CID63247204
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name3-[1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-2-yl]piperidine
SMILESO=S(=O)(CC1CCCO1)N1CCCC1C1CCCNC1
InChIInChI=1S/C14H26N2O3S/c17-20(18,11-13-5-3-9-19-13)16-8-2-6-14(16)12-4-1-7-15-10-12/h12-15H,1-11H2
InChIKeyBWEYVCOKGHDITO-UHFFFAOYSA-N
XLogP0.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320272
[1-(oxolan-2-ylmethylsulfonyl)piperazin-2-yl]methanamine
CID 113415492
1-(oxolan-2-ylmethylsulfonyl)piperazine;hydrochloride
CID 119961556
1-(2-piperidin-3-ylpyrrolidin-1-yl)sulfonylpiperidine
CID 60978162
1-(piperidin-4-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65319979
1-(oxolan-2-ylmethylsulfonyl)azepan-2-amine
CID 64560160
[1-(oxolan-2-ylmethylsulfonyl)azepan-2-yl]methanamine
CID 116640178
oxolan-2-yl-(2-piperidin-3-ylpyrrolidin-1-yl)methanone
CID 54885653
3-methyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)sulfonylpiperidine
CID 60977614
1-(oxan-2-yl)-N-[(3R)-piperidin-3-yl]methanesulfonamide
CID 120723774
1-(oxan-2-ylmethylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763498
3-bromo-1-(oxolan-2-ylmethylsulfonyl)piperidine
CID 80677029

Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-2-yl]piperidine?
The IUPAC name of 3-[1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-2-yl]piperidine (CID 63247204) is 3-[1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-2-yl]piperidine.
What is the SMILES notation for 3-[1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-2-yl]piperidine?
The canonical SMILES for 3-[1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-2-yl]piperidine is O=S(=O)(CC1CCCO1)N1CCCC1C1CCCNC1.
What is the InChIKey of 3-[1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-2-yl]piperidine?
The InChIKey is BWEYVCOKGHDITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c17-20(18,11-13-5-3-9-19-13)16-8-2-6-14(16)12-4-1-7-15-10-12/h12-15H,1-11H2.
What are the key properties of 3-[1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-2-yl]piperidine?
3-[1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-2-yl]piperidine has a molecular weight of 302.44 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-2-yl]piperidine is sourced from PubChem (CID 63247204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).