4,4-dimethyl-1-methylsulfonylpiperidine

C8H17NO2S — CID 18736356

IUPAC4,4-dimethyl-1-methylsulfonylpiperidine
SMILESCC1(C)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C8H17NO2S/c1-8(2)4-6-9(7-5-8)12(3,10)11/h4-7H2,1-3H3
InChIKeyXBJKYZSIXYVZDO-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.07
Rot. Bonds1

About 4,4-dimethyl-1-methylsulfonylpiperidine

4,4-dimethyl-1-methylsulfonylpiperidine (PubChem CID 18736356) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 4,4-dimethyl-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4,4-dimethyl-1-methylsulfonylpiperidine
PubChem CID18736356
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name4,4-dimethyl-1-methylsulfonylpiperidine
SMILESCC1(C)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C8H17NO2S/c1-8(2)4-6-9(7-5-8)12(3,10)11/h4-7H2,1-3H3
InChIKeyXBJKYZSIXYVZDO-UHFFFAOYSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 123345054
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CID 134225287
CID 134225287
CID 164044680
CID 164044680
CID 168140854
CID 168140854
CID 169892274
CID 169892274
CID 169939643
CID 169939643
CID 170135632
CID 170135632
CID 171581880
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CID 171582021
CID 171582021

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-methylsulfonylpiperidine?
The IUPAC name of 4,4-dimethyl-1-methylsulfonylpiperidine (CID 18736356) is 4,4-dimethyl-1-methylsulfonylpiperidine.
What is the SMILES notation for 4,4-dimethyl-1-methylsulfonylpiperidine?
The canonical SMILES for 4,4-dimethyl-1-methylsulfonylpiperidine is CC1(C)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4,4-dimethyl-1-methylsulfonylpiperidine?
The InChIKey is XBJKYZSIXYVZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-8(2)4-6-9(7-5-8)12(3,10)11/h4-7H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-methylsulfonylpiperidine?
4,4-dimethyl-1-methylsulfonylpiperidine has a molecular weight of 191.30 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-methylsulfonylpiperidine is sourced from PubChem (CID 18736356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).