3-(butylsulfonylmethyl)piperidine

C10H21NO2S — CID 82182109

IUPAC3-(butylsulfonylmethyl)piperidine
SMILESCCCCS(=O)(=O)CC1CCCNC1
InChIInChI=1S/C10H21NO2S/c1-2-3-7-14(12,13)9-10-5-4-6-11-8-10/h10-11H,2-9H2,1H3
InChIKeyAPLOERGURICDKZ-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.20
Rot. Bonds5

About 3-(butylsulfonylmethyl)piperidine

3-(butylsulfonylmethyl)piperidine (PubChem CID 82182109) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 3-(butylsulfonylmethyl)piperidine.

Molecular Properties

Compound Name3-(butylsulfonylmethyl)piperidine
PubChem CID82182109
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name3-(butylsulfonylmethyl)piperidine
SMILESCCCCS(=O)(=O)CC1CCCNC1
InChIInChI=1S/C10H21NO2S/c1-2-3-7-14(12,13)9-10-5-4-6-11-8-10/h10-11H,2-9H2,1H3
InChIKeyAPLOERGURICDKZ-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

methyl 4-(piperidin-3-ylmethylsulfonyl)butanoate
CID 82182142
N-(piperidin-3-ylmethyl)-N-propylbutane-1-sulfonamide
CID 106631296
N-butyl-N-methyl-2-(piperidin-3-ylmethylsulfonyl)acetamide
CID 82182087
3-(ethylsulfonylmethyl)pyrrolidine
CID 84656221
N-ethyl-3-ethylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106638991
4-(heptylsulfonylmethyl)piperidine
CID 82182021
N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106640099
(3S)-3-heptylpiperidine
CID 155456188
3-ethylazonane
CID 154533924
N-(2-piperidin-3-ylethyl)propane-1-sulfonamide
CID 60895183
1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide
CID 106631342
N-(2-hydroxyethyl)-1-piperidin-3-yl-N-propylmethanesulfonamide
CID 54972143

Frequently Asked Questions

What is the IUPAC name of 3-(butylsulfonylmethyl)piperidine?
The IUPAC name of 3-(butylsulfonylmethyl)piperidine (CID 82182109) is 3-(butylsulfonylmethyl)piperidine.
What is the SMILES notation for 3-(butylsulfonylmethyl)piperidine?
The canonical SMILES for 3-(butylsulfonylmethyl)piperidine is CCCCS(=O)(=O)CC1CCCNC1.
What is the InChIKey of 3-(butylsulfonylmethyl)piperidine?
The InChIKey is APLOERGURICDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-2-3-7-14(12,13)9-10-5-4-6-11-8-10/h10-11H,2-9H2,1H3.
What are the key properties of 3-(butylsulfonylmethyl)piperidine?
3-(butylsulfonylmethyl)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 3-(butylsulfonylmethyl)piperidine is sourced from PubChem (CID 82182109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).