(3S)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-3-piperidin-1-ylpiperidine

C16H30N2O3S — CID 100897842

IUPAC(3S)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-3-piperidin-1-ylpiperidine
SMILESO=S(=O)(CC[C@H]1CCCO1)N1CCC[C@H](N2CCCCC2)C1
InChIInChI=1S/C16H30N2O3S/c19-22(20,13-8-16-7-5-12-21-16)18-11-4-6-15(14-18)17-9-2-1-3-10-17/h15-16H,1-14H2/t15-,16+/m0/s1
InChIKeyQFFVKNURLIXLAD-JKSUJKDBSA-N
MW330.49 g/mol
LogP1.84
Rot. Bonds5

About (3S)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-3-piperidin-1-ylpiperidine

(3S)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-3-piperidin-1-ylpiperidine (PubChem CID 100897842) has the molecular formula C16H30N2O3S and a molecular weight of 330.49 g/mol. Its IUPAC name is (3S)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-3-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name(3S)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-3-piperidin-1-ylpiperidine
PubChem CID100897842
Molecular FormulaC16H30N2O3S
Molecular Weight330.49 g/mol
Exact Mass330.20
IUPAC Name(3S)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-3-piperidin-1-ylpiperidine
SMILESO=S(=O)(CC[C@H]1CCCO1)N1CCC[C@H](N2CCCCC2)C1
InChIInChI=1S/C16H30N2O3S/c19-22(20,13-8-16-7-5-12-21-16)18-11-4-6-15(14-18)17-9-2-1-3-10-17/h15-16H,1-14H2/t15-,16+/m0/s1
InChIKeyQFFVKNURLIXLAD-JKSUJKDBSA-N
XLogP1.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-1-propylsulfonylpiperidin-3-yl]azepane
CID 95342967
(3aS,9aS,9bR)-2-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizine
CID 97080599
1-(4-chlorobutylsulfonyl)-3-pyrrolidin-1-ylpiperidine
CID 116815438
N,N-dimethyl-2-[1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]ethanamine
CID 97339756
(3S)-3-(4-fluorophenyl)-1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]pyrrolidine
CID 97226472
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)propan-1-amine
CID 79938331
3-bromo-1-(oxolan-2-ylmethylsulfonyl)piperidine
CID 80677029
1-(3-chloropropylsulfonyl)-3-pyrrolidin-1-ylpyrrolidine
CID 63174919
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylsulfonyl)acetonitrile
CID 55218571
2-[(2R)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-2-yl]-1H-pyrrole
CID 100865829
1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-ol
CID 63247301
2-(oxolan-2-yl)ethanesulfonyl chloride
CID 65158435

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-3-piperidin-1-ylpiperidine?
The IUPAC name of (3S)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-3-piperidin-1-ylpiperidine (CID 100897842) is (3S)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-3-piperidin-1-ylpiperidine.
What is the SMILES notation for (3S)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-3-piperidin-1-ylpiperidine?
The canonical SMILES for (3S)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-3-piperidin-1-ylpiperidine is O=S(=O)(CC[C@H]1CCCO1)N1CCC[C@H](N2CCCCC2)C1.
What is the InChIKey of (3S)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-3-piperidin-1-ylpiperidine?
The InChIKey is QFFVKNURLIXLAD-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H30N2O3S/c19-22(20,13-8-16-7-5-12-21-16)18-11-4-6-15(14-18)17-9-2-1-3-10-17/h15-16H,1-14H2/t15-,16+/m0/s1.
What are the key properties of (3S)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-3-piperidin-1-ylpiperidine?
(3S)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-3-piperidin-1-ylpiperidine has a molecular weight of 330.49 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-3-piperidin-1-ylpiperidine is sourced from PubChem (CID 100897842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).