4-(2-methylsulfonylethyl)piperidine;4-(methylsulfonylmethyl)piperidine

C15H32N2O4S2 — CID 158767557

IUPAC4-(2-methylsulfonylethyl)piperidine;4-(methylsulfonylmethyl)piperidine
SMILESCS(=O)(=O)CC1CCNCC1.CS(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C8H17NO2S.C7H15NO2S/c1-12(10,11)7-4-8-2-5-9-6-3-8;1-11(9,10)6-7-2-4-8-5-3-7/h8-9H,2-7H2,1H3;7-8H,2-6H2,1H3
InChIKeyIPLKASRHFICHLU-UHFFFAOYSA-N
MW368.57 g/mol
LogP0.45
Rot. Bonds5

About 4-(2-methylsulfonylethyl)piperidine;4-(methylsulfonylmethyl)piperidine

4-(2-methylsulfonylethyl)piperidine;4-(methylsulfonylmethyl)piperidine (PubChem CID 158767557) has the molecular formula C15H32N2O4S2 and a molecular weight of 368.57 g/mol. Its IUPAC name is 4-(2-methylsulfonylethyl)piperidine;4-(methylsulfonylmethyl)piperidine.

Molecular Properties

Compound Name4-(2-methylsulfonylethyl)piperidine;4-(methylsulfonylmethyl)piperidine
PubChem CID158767557
Molecular FormulaC15H32N2O4S2
Molecular Weight368.57 g/mol
Exact Mass368.18
IUPAC Name4-(2-methylsulfonylethyl)piperidine;4-(methylsulfonylmethyl)piperidine
SMILESCS(=O)(=O)CC1CCNCC1.CS(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C8H17NO2S.C7H15NO2S/c1-12(10,11)7-4-8-2-5-9-6-3-8;1-11(9,10)6-7-2-4-8-5-3-7/h8-9H,2-7H2,1H3;7-8H,2-6H2,1H3
InChIKeyIPLKASRHFICHLU-UHFFFAOYSA-N
XLogP0.45
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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4-(2-cyclopropylsulfonylethyl)piperidine
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1-ethylsulfonyl-3-piperidin-4-ylpropan-1-one
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CID 175274886
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CID 54885840
N-methyl-N-(3-methylbutan-2-yl)-2-piperidin-4-ylethanesulfonamide
CID 60890770
N-(4-methylcyclohexyl)-2-piperidin-4-ylethanesulfonamide
CID 60892687
N-methyl-1-methylsulfonyl-N-(piperidin-4-ylmethyl)methanesulfonamide
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CID 82182021

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfonylethyl)piperidine;4-(methylsulfonylmethyl)piperidine?
The IUPAC name of 4-(2-methylsulfonylethyl)piperidine;4-(methylsulfonylmethyl)piperidine (CID 158767557) is 4-(2-methylsulfonylethyl)piperidine;4-(methylsulfonylmethyl)piperidine.
What is the SMILES notation for 4-(2-methylsulfonylethyl)piperidine;4-(methylsulfonylmethyl)piperidine?
The canonical SMILES for 4-(2-methylsulfonylethyl)piperidine;4-(methylsulfonylmethyl)piperidine is CS(=O)(=O)CC1CCNCC1.CS(=O)(=O)CCC1CCNCC1.
What is the InChIKey of 4-(2-methylsulfonylethyl)piperidine;4-(methylsulfonylmethyl)piperidine?
The InChIKey is IPLKASRHFICHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S.C7H15NO2S/c1-12(10,11)7-4-8-2-5-9-6-3-8;1-11(9,10)6-7-2-4-8-5-3-7/h8-9H,2-7H2,1H3;7-8H,2-6H2,1H3.
What are the key properties of 4-(2-methylsulfonylethyl)piperidine;4-(methylsulfonylmethyl)piperidine?
4-(2-methylsulfonylethyl)piperidine;4-(methylsulfonylmethyl)piperidine has a molecular weight of 368.57 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfonylethyl)piperidine;4-(methylsulfonylmethyl)piperidine is sourced from PubChem (CID 158767557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).