3-(methylsulfonylmethyl)piperidine;1,3-thiazole

C10H18N2O2S2 — CID 68516941

IUPAC3-(methylsulfonylmethyl)piperidine;1,3-thiazole
SMILESCS(=O)(=O)CC1CCCNC1.c1cscn1
InChIInChI=1S/C7H15NO2S.C3H3NS/c1-11(9,10)6-7-3-2-4-8-5-7;1-2-5-3-4-1/h7-8H,2-6H2,1H3;1-3H
InChIKeyOPFHDKHWEFYULH-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.17
Rot. Bonds2

About 3-(methylsulfonylmethyl)piperidine;1,3-thiazole

3-(methylsulfonylmethyl)piperidine;1,3-thiazole (PubChem CID 68516941) has the molecular formula C10H18N2O2S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(methylsulfonylmethyl)piperidine;1,3-thiazole.

Molecular Properties

Compound Name3-(methylsulfonylmethyl)piperidine;1,3-thiazole
PubChem CID68516941
Molecular FormulaC10H18N2O2S2
Molecular Weight262.40 g/mol
Exact Mass262.08
IUPAC Name3-(methylsulfonylmethyl)piperidine;1,3-thiazole
SMILESCS(=O)(=O)CC1CCCNC1.c1cscn1
InChIInChI=1S/C7H15NO2S.C3H3NS/c1-11(9,10)6-7-3-2-4-8-5-7;1-2-5-3-4-1/h7-8H,2-6H2,1H3;1-3H
InChIKeyOPFHDKHWEFYULH-UHFFFAOYSA-N
XLogP1.17
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfonylmethyl)piperidine;1,3-thiazole?
The IUPAC name of 3-(methylsulfonylmethyl)piperidine;1,3-thiazole (CID 68516941) is 3-(methylsulfonylmethyl)piperidine;1,3-thiazole.
What is the SMILES notation for 3-(methylsulfonylmethyl)piperidine;1,3-thiazole?
The canonical SMILES for 3-(methylsulfonylmethyl)piperidine;1,3-thiazole is CS(=O)(=O)CC1CCCNC1.c1cscn1.
What is the InChIKey of 3-(methylsulfonylmethyl)piperidine;1,3-thiazole?
The InChIKey is OPFHDKHWEFYULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S.C3H3NS/c1-11(9,10)6-7-3-2-4-8-5-7;1-2-5-3-4-1/h7-8H,2-6H2,1H3;1-3H.
What are the key properties of 3-(methylsulfonylmethyl)piperidine;1,3-thiazole?
3-(methylsulfonylmethyl)piperidine;1,3-thiazole has a molecular weight of 262.40 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfonylmethyl)piperidine;1,3-thiazole is sourced from PubChem (CID 68516941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).