2-piperidin-1-ylethyl propane-2-sulfinate

C10H21NO2S — CID 22960494

IUPAC2-piperidin-1-ylethyl propane-2-sulfinate
SMILESCC(C)S(=O)OCCN1CCCCC1
InChIInChI=1S/C10H21NO2S/c1-10(2)14(12)13-9-8-11-6-4-3-5-7-11/h10H,3-9H2,1-2H3
InChIKeyCQCARANDLCTWPU-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.56
Rot. Bonds5

About 2-piperidin-1-ylethyl propane-2-sulfinate

2-piperidin-1-ylethyl propane-2-sulfinate (PubChem CID 22960494) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl propane-2-sulfinate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl propane-2-sulfinate
PubChem CID22960494
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-piperidin-1-ylethyl propane-2-sulfinate
SMILESCC(C)S(=O)OCCN1CCCCC1
InChIInChI=1S/C10H21NO2S/c1-10(2)14(12)13-9-8-11-6-4-3-5-7-11/h10H,3-9H2,1-2H3
InChIKeyCQCARANDLCTWPU-UHFFFAOYSA-N
XLogP1.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Methoxypropan-2-ylsulfonyl)piperidine
CID 132282815
2-(1-Methylpiperidin-1-ium-1-yl)ethyl 2,2,2-trifluoroethanesulfonate
CID 137445670
2-(3-Fluoropiperidin-1-yl)ethyl methanesulfonate
CID 147354686
2-[(3S)-3-fluoropiperidin-1-yl]ethyl methanesulfonate
CID 156310210
1-(2-Methoxyethyl)piperidine-4-sulfonyl fluoride
CID 166746756
2-Piperidin-1-ylethyl 2,2,2-trifluoroethanesulfonate
CID 11832618
Propan-2-yl 2-piperidin-1-ylethanesulfonate
CID 12260011
2-Piperidin-1-ylethyl ethanesulfonate
CID 18673395
1-(2-Propan-2-ylsulfanylperoxyethyl)piperidine
CID 20616508
1-(2-Propan-2-ylsulfanyloxyethyl)piperidine
CID 22960493
2-Piperidin-1-ylethyl methanesulfonate
CID 44626921
Methyl 2-piperidin-1-ylethanesulfonate
CID 57605817

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl propane-2-sulfinate?
The IUPAC name of 2-piperidin-1-ylethyl propane-2-sulfinate (CID 22960494) is 2-piperidin-1-ylethyl propane-2-sulfinate.
What is the SMILES notation for 2-piperidin-1-ylethyl propane-2-sulfinate?
The canonical SMILES for 2-piperidin-1-ylethyl propane-2-sulfinate is CC(C)S(=O)OCCN1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylethyl propane-2-sulfinate?
The InChIKey is CQCARANDLCTWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-10(2)14(12)13-9-8-11-6-4-3-5-7-11/h10H,3-9H2,1-2H3.
What are the key properties of 2-piperidin-1-ylethyl propane-2-sulfinate?
2-piperidin-1-ylethyl propane-2-sulfinate has a molecular weight of 219.35 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl propane-2-sulfinate is sourced from PubChem (CID 22960494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).