4-(2-propylsulfonylethyl)piperidine

C10H21NO2S — CID 57075828

IUPAC4-(2-propylsulfonylethyl)piperidine
SMILESCCCS(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C10H21NO2S/c1-2-8-14(12,13)9-5-10-3-6-11-7-4-10/h10-11H,2-9H2,1H3
InChIKeyVPMFEGUMUXCDOB-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.20
Rot. Bonds5

About 4-(2-propylsulfonylethyl)piperidine

4-(2-propylsulfonylethyl)piperidine (PubChem CID 57075828) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 4-(2-propylsulfonylethyl)piperidine.

Molecular Properties

Compound Name4-(2-propylsulfonylethyl)piperidine
PubChem CID57075828
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name4-(2-propylsulfonylethyl)piperidine
SMILESCCCS(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C10H21NO2S/c1-2-8-14(12,13)9-5-10-3-6-11-7-4-10/h10-11H,2-9H2,1H3
InChIKeyVPMFEGUMUXCDOB-UHFFFAOYSA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Thia-4-azaspiro[5.5]undecane, 1,1-dioxide
CID 71755714
{1-[1-(Ethanesulfonyl)piperidin-4-yl]ethyl}(methyl)amine
CID 63854893
3-Methanesulfonylpiperidine
CID 22275823
4-(Methanesulfonylmethyl)piperidine hydrochloride
CID 46737055
4-(2-Methanesulfonylethyl)piperidine hydrochloride
CID 66649711
4-(Propane-1-sulfonyl)piperidine hydrochloride
CID 66686902
4-(Ethanesulfonyl)piperidine hydrochloride
CID 67529535
4-(Propane-2-sulfonyl)piperidine hydrochloride
CID 71757881
4-(Methanesulfonyl)piperidine
CID 22275038
2,2-Diethyl-1lambda4-thiomorpholin-1-one hydrochloride
CID 75457891
2,2-Diethyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 75478254
3-Thia-9-azaspiro[5.5]undecane 3,3-dioxide hydrochloride
CID 119031871

Frequently Asked Questions

What is the IUPAC name of 4-(2-propylsulfonylethyl)piperidine?
The IUPAC name of 4-(2-propylsulfonylethyl)piperidine (CID 57075828) is 4-(2-propylsulfonylethyl)piperidine.
What is the SMILES notation for 4-(2-propylsulfonylethyl)piperidine?
The canonical SMILES for 4-(2-propylsulfonylethyl)piperidine is CCCS(=O)(=O)CCC1CCNCC1.
What is the InChIKey of 4-(2-propylsulfonylethyl)piperidine?
The InChIKey is VPMFEGUMUXCDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-2-8-14(12,13)9-5-10-3-6-11-7-4-10/h10-11H,2-9H2,1H3.
What are the key properties of 4-(2-propylsulfonylethyl)piperidine?
4-(2-propylsulfonylethyl)piperidine has a molecular weight of 219.35 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propylsulfonylethyl)piperidine is sourced from PubChem (CID 57075828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).