1-cyclopropylsulfonyl-3-(2,2-dimethylpropyl)piperidine

C13H25NO2S — CID 58116671

IUPAC1-cyclopropylsulfonyl-3-(2,2-dimethylpropyl)piperidine
SMILESCC(C)(C)CC1CCCN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C13H25NO2S/c1-13(2,3)9-11-5-4-8-14(10-11)17(15,16)12-6-7-12/h11-12H,4-10H2,1-3H3
InChIKeyIFLZWAUNKIEGTE-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.63
Rot. Bonds3

About 1-cyclopropylsulfonyl-3-(2,2-dimethylpropyl)piperidine

1-cyclopropylsulfonyl-3-(2,2-dimethylpropyl)piperidine (PubChem CID 58116671) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-3-(2,2-dimethylpropyl)piperidine.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-3-(2,2-dimethylpropyl)piperidine
PubChem CID58116671
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name1-cyclopropylsulfonyl-3-(2,2-dimethylpropyl)piperidine
SMILESCC(C)(C)CC1CCCN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C13H25NO2S/c1-13(2,3)9-11-5-4-8-14(10-11)17(15,16)12-6-7-12/h11-12H,4-10H2,1-3H3
InChIKeyIFLZWAUNKIEGTE-UHFFFAOYSA-N
XLogP2.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 23591909
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CID 49670461
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CID 49715016
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CID 52200318
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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-3-(2,2-dimethylpropyl)piperidine?
The IUPAC name of 1-cyclopropylsulfonyl-3-(2,2-dimethylpropyl)piperidine (CID 58116671) is 1-cyclopropylsulfonyl-3-(2,2-dimethylpropyl)piperidine.
What is the SMILES notation for 1-cyclopropylsulfonyl-3-(2,2-dimethylpropyl)piperidine?
The canonical SMILES for 1-cyclopropylsulfonyl-3-(2,2-dimethylpropyl)piperidine is CC(C)(C)CC1CCCN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of 1-cyclopropylsulfonyl-3-(2,2-dimethylpropyl)piperidine?
The InChIKey is IFLZWAUNKIEGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-13(2,3)9-11-5-4-8-14(10-11)17(15,16)12-6-7-12/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-cyclopropylsulfonyl-3-(2,2-dimethylpropyl)piperidine?
1-cyclopropylsulfonyl-3-(2,2-dimethylpropyl)piperidine has a molecular weight of 259.41 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-3-(2,2-dimethylpropyl)piperidine is sourced from PubChem (CID 58116671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).