1-(3-methyl-1-methylsulfonylbutan-2-yl)piperidine

C11H23NO2S — CID 134992857

IUPAC1-(3-methyl-1-methylsulfonylbutan-2-yl)piperidine
SMILESCC(C)C(CS(C)(=O)=O)N1CCCCC1
InChIInChI=1S/C11H23NO2S/c1-10(2)11(9-15(3,13)14)12-7-5-4-6-8-12/h10-11H,4-9H2,1-3H3
InChIKeySBSMXBKDBOVHQK-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.54
Rot. Bonds4

About 1-(3-methyl-1-methylsulfonylbutan-2-yl)piperidine

1-(3-methyl-1-methylsulfonylbutan-2-yl)piperidine (PubChem CID 134992857) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-(3-methyl-1-methylsulfonylbutan-2-yl)piperidine.

Molecular Properties

Compound Name1-(3-methyl-1-methylsulfonylbutan-2-yl)piperidine
PubChem CID134992857
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name1-(3-methyl-1-methylsulfonylbutan-2-yl)piperidine
SMILESCC(C)C(CS(C)(=O)=O)N1CCCCC1
InChIInChI=1S/C11H23NO2S/c1-10(2)11(9-15(3,13)14)12-7-5-4-6-8-12/h10-11H,4-9H2,1-3H3
InChIKeySBSMXBKDBOVHQK-UHFFFAOYSA-N
XLogP1.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-Dioxidotetrahydro-3-thienyl)piperidine
CID 410105
4-(Cyclopropylmethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide
CID 71916738
N-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 71968292
1-(2,4-Dimethylpentyl)-4-(2-methylsulfonylethyl)piperazine
CID 121521066
1-Tert-butyl-4-(trifluoromethylsulfonylmethyl)piperidine
CID 147954141
3-(3-Fluoro-4-methylpiperidin-1-yl)-3-methylthietane 1,1-dioxide
CID 178125547
3-(3-Fluoro-4-methylpiperidin-1-yl)thietane 1,1-dioxide
CID 178125667
3-(3-Fluoro-4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide
CID 178125875
Piperidine, 1-[2-(ethylsulfonyl)ethyl]-
CID 3104333
1-(2-Methyl-1,1-dioxido-3-thietanyl)piperidine
CID 300289
(2S,3R)-3-piperidin-1-yl-2-propylthietane 1,1-dioxide
CID 21781764
3-Piperidin-1-yl-2-propylthietane 1,1-dioxide
CID 73839107

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-methylsulfonylbutan-2-yl)piperidine?
The IUPAC name of 1-(3-methyl-1-methylsulfonylbutan-2-yl)piperidine (CID 134992857) is 1-(3-methyl-1-methylsulfonylbutan-2-yl)piperidine.
What is the SMILES notation for 1-(3-methyl-1-methylsulfonylbutan-2-yl)piperidine?
The canonical SMILES for 1-(3-methyl-1-methylsulfonylbutan-2-yl)piperidine is CC(C)C(CS(C)(=O)=O)N1CCCCC1.
What is the InChIKey of 1-(3-methyl-1-methylsulfonylbutan-2-yl)piperidine?
The InChIKey is SBSMXBKDBOVHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-10(2)11(9-15(3,13)14)12-7-5-4-6-8-12/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-(3-methyl-1-methylsulfonylbutan-2-yl)piperidine?
1-(3-methyl-1-methylsulfonylbutan-2-yl)piperidine has a molecular weight of 233.38 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-methylsulfonylbutan-2-yl)piperidine is sourced from PubChem (CID 134992857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).