(2R,3S)-2-methyl-3-piperidin-1-ylthietane 1,1-dioxide

C9H17NO2S — CID 92856900

IUPAC(2R,3S)-2-methyl-3-piperidin-1-ylthietane 1,1-dioxide
SMILESC[C@@H]1[C@@H](N2CCCCC2)CS1(=O)=O
InChIInChI=1S/C9H17NO2S/c1-8-9(7-13(8,11)12)10-5-3-2-4-6-10/h8-9H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyFWCBOAIJDYTVGL-BDAKNGLRSA-N
MW203.31 g/mol
LogP0.66
Rot. Bonds1

About (2R,3S)-2-methyl-3-piperidin-1-ylthietane 1,1-dioxide

(2R,3S)-2-methyl-3-piperidin-1-ylthietane 1,1-dioxide (PubChem CID 92856900) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is (2R,3S)-2-methyl-3-piperidin-1-ylthietane 1,1-dioxide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-3-piperidin-1-ylthietane 1,1-dioxide
PubChem CID92856900
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name(2R,3S)-2-methyl-3-piperidin-1-ylthietane 1,1-dioxide
SMILESC[C@@H]1[C@@H](N2CCCCC2)CS1(=O)=O
InChIInChI=1S/C9H17NO2S/c1-8-9(7-13(8,11)12)10-5-3-2-4-6-10/h8-9H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyFWCBOAIJDYTVGL-BDAKNGLRSA-N
XLogP0.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Cyclododecyl-1,4-thiazinane 1,1-dioxide
CID 318479
3-Piperidin-1-yl-2-(piperidin-1-ylmethyl)thietane 1,1-dioxide
CID 282205
4-Cycloheptylthiomorpholine 1,1-dioxide
CID 318477
4-Cyclopentylthiomorpholine 1,1-dioxide
CID 318476
1-(1,1-Dioxidotetrahydro-3-thienyl)piperidine
CID 410105
4-Butylthiomorpholine-1,1-dioxide
CID 10987084
N-(2-ethylsulfonylethyl)-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 71988847
1-Cyclopentyl-3-ethylsulfonylazetidine
CID 137956096
4-Ethylsulfonyl-1-(2-fluoroethyl)piperidine
CID 123535747
3-(3-Fluoro-4-methylpiperidin-1-yl)thietane 1,1-dioxide
CID 178125667
3-(Piperidin-1-yl)tetrahydrothiophene 1,1-dioxide hydrochloride
CID 45148608
1-(1,1-Dioxido-3-thietanyl)piperidine
CID 282208

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-3-piperidin-1-ylthietane 1,1-dioxide?
The IUPAC name of (2R,3S)-2-methyl-3-piperidin-1-ylthietane 1,1-dioxide (CID 92856900) is (2R,3S)-2-methyl-3-piperidin-1-ylthietane 1,1-dioxide.
What is the SMILES notation for (2R,3S)-2-methyl-3-piperidin-1-ylthietane 1,1-dioxide?
The canonical SMILES for (2R,3S)-2-methyl-3-piperidin-1-ylthietane 1,1-dioxide is C[C@@H]1[C@@H](N2CCCCC2)CS1(=O)=O.
What is the InChIKey of (2R,3S)-2-methyl-3-piperidin-1-ylthietane 1,1-dioxide?
The InChIKey is FWCBOAIJDYTVGL-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-8-9(7-13(8,11)12)10-5-3-2-4-6-10/h8-9H,2-7H2,1H3/t8-,9+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-3-piperidin-1-ylthietane 1,1-dioxide?
(2R,3S)-2-methyl-3-piperidin-1-ylthietane 1,1-dioxide has a molecular weight of 203.31 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-3-piperidin-1-ylthietane 1,1-dioxide is sourced from PubChem (CID 92856900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).