1-methylsulfonyl-4,4-di(propan-2-yl)piperidine

C12H25NO2S — CID 58745697

IUPAC1-methylsulfonyl-4,4-di(propan-2-yl)piperidine
SMILESCC(C)C1(C(C)C)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H25NO2S/c1-10(2)12(11(3)4)6-8-13(9-7-12)16(5,14)15/h10-11H,6-9H2,1-5H3
InChIKeyFGSSZEGOMSBHES-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.34
Rot. Bonds3

About 1-methylsulfonyl-4,4-di(propan-2-yl)piperidine

1-methylsulfonyl-4,4-di(propan-2-yl)piperidine (PubChem CID 58745697) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 1-methylsulfonyl-4,4-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name1-methylsulfonyl-4,4-di(propan-2-yl)piperidine
PubChem CID58745697
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name1-methylsulfonyl-4,4-di(propan-2-yl)piperidine
SMILESCC(C)C1(C(C)C)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H25NO2S/c1-10(2)12(11(3)4)6-8-13(9-7-12)16(5,14)15/h10-11H,6-9H2,1-5H3
InChIKeyFGSSZEGOMSBHES-UHFFFAOYSA-N
XLogP2.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 97213735
4-Propan-2-yl-1-(trifluoromethylsulfonyl)piperidine
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4-Tert-butyl-1-(trifluoromethylsulfonyl)piperidine
CID 58394662
N-tert-butyl-N-[3-(fluoromethyl)-4,4-dimethylpentyl]methanesulfonamide
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4-(2-Methylbutan-2-yl)-1-(trifluoromethylsulfonyl)piperidine
CID 126647929
4-(3-Methylhexan-3-yl)-1-(trifluoromethylsulfonyl)piperidine
CID 126648109
4-Tert-butyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 155458510
4-Tert-butyl-3-fluoro-1-methylsulfonylpiperidine
CID 168140854
4-(2,2-Dimethylpropyl)-4-fluoro-1-methylsulfonylpiperidine
CID 169892274
4-Fluoro-4-(2-methylpropyl)-1-methylsulfonylpiperidine
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4-(Fluoromethyl)-2,4-dimethyl-1-methylsulfonylpiperidine
CID 169939643

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-4,4-di(propan-2-yl)piperidine?
The IUPAC name of 1-methylsulfonyl-4,4-di(propan-2-yl)piperidine (CID 58745697) is 1-methylsulfonyl-4,4-di(propan-2-yl)piperidine.
What is the SMILES notation for 1-methylsulfonyl-4,4-di(propan-2-yl)piperidine?
The canonical SMILES for 1-methylsulfonyl-4,4-di(propan-2-yl)piperidine is CC(C)C1(C(C)C)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-methylsulfonyl-4,4-di(propan-2-yl)piperidine?
The InChIKey is FGSSZEGOMSBHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-10(2)12(11(3)4)6-8-13(9-7-12)16(5,14)15/h10-11H,6-9H2,1-5H3.
What are the key properties of 1-methylsulfonyl-4,4-di(propan-2-yl)piperidine?
1-methylsulfonyl-4,4-di(propan-2-yl)piperidine has a molecular weight of 247.40 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-4,4-di(propan-2-yl)piperidine is sourced from PubChem (CID 58745697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).