1-tert-butyl-3-methylsulfonylpiperidine

C10H21NO2S — CID 59640673

IUPAC1-tert-butyl-3-methylsulfonylpiperidine
SMILESCC(C)(C)N1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C10H21NO2S/c1-10(2,3)11-7-5-6-9(8-11)14(4,12)13/h9H,5-8H2,1-4H3
InChIKeyUMHRGUFZICCTQW-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.29
Rot. Bonds1

About 1-tert-butyl-3-methylsulfonylpiperidine

1-tert-butyl-3-methylsulfonylpiperidine (PubChem CID 59640673) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 1-tert-butyl-3-methylsulfonylpiperidine.

Molecular Properties

Compound Name1-tert-butyl-3-methylsulfonylpiperidine
PubChem CID59640673
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name1-tert-butyl-3-methylsulfonylpiperidine
SMILESCC(C)(C)N1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C10H21NO2S/c1-10(2,3)11-7-5-6-9(8-11)14(4,12)13/h9H,5-8H2,1-4H3
InChIKeyUMHRGUFZICCTQW-UHFFFAOYSA-N
XLogP1.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-1-(1-tert-butylpiperidin-3-yl)sulfonyl-2-methylpiperazine
CID 142336137
[(3S)-1-tert-butylpiperidin-3-yl]methyl methanesulfonate
CID 164945767
3-methylsulfonyl-1-propan-2-ylpiperidine
CID 146319566
1-tert-butyl-4-(1-tert-butylpyrrolidin-3-yl)sulfonylpiperazine
CID 153452685
1-tert-butyl-3-isocyanopiperidine
CID 84765134
1-tert-butyl-N,N-dimethylpiperidine-3-carboxamide
CID 58877729
1,3-ditert-butylpiperidine;methane
CID 157116364
2-methyl-1-(3-methylsulfonylazepan-1-yl)propan-2-amine;hydrochloride
CID 120858030
1-tert-butylpiperidine-3-carboxamide
CID 59656300
1-tert-butyl-3-(2-iodopropan-2-yl)piperidine
CID 170043848
(2R)-1-(3-methylsulfonylpiperidin-1-yl)propan-2-amine
CID 130715172
1-tert-butyl-3-(difluoromethyl)piperidine
CID 176615633

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methylsulfonylpiperidine?
The IUPAC name of 1-tert-butyl-3-methylsulfonylpiperidine (CID 59640673) is 1-tert-butyl-3-methylsulfonylpiperidine.
What is the SMILES notation for 1-tert-butyl-3-methylsulfonylpiperidine?
The canonical SMILES for 1-tert-butyl-3-methylsulfonylpiperidine is CC(C)(C)N1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of 1-tert-butyl-3-methylsulfonylpiperidine?
The InChIKey is UMHRGUFZICCTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-10(2,3)11-7-5-6-9(8-11)14(4,12)13/h9H,5-8H2,1-4H3.
What are the key properties of 1-tert-butyl-3-methylsulfonylpiperidine?
1-tert-butyl-3-methylsulfonylpiperidine has a molecular weight of 219.35 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methylsulfonylpiperidine is sourced from PubChem (CID 59640673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).