4-(heptylsulfonylmethyl)piperidine

C13H27NO2S — CID 82182021

IUPAC4-(heptylsulfonylmethyl)piperidine
SMILESCCCCCCCS(=O)(=O)CC1CCNCC1
InChIInChI=1S/C13H27NO2S/c1-2-3-4-5-6-11-17(15,16)12-13-7-9-14-10-8-13/h13-14H,2-12H2,1H3
InChIKeyAJGRVXKLERJCNX-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.37
Rot. Bonds8

About 4-(heptylsulfonylmethyl)piperidine

4-(heptylsulfonylmethyl)piperidine (PubChem CID 82182021) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 4-(heptylsulfonylmethyl)piperidine.

Molecular Properties

Compound Name4-(heptylsulfonylmethyl)piperidine
PubChem CID82182021
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name4-(heptylsulfonylmethyl)piperidine
SMILESCCCCCCCS(=O)(=O)CC1CCNCC1
InChIInChI=1S/C13H27NO2S/c1-2-3-4-5-6-11-17(15,16)12-13-7-9-14-10-8-13/h13-14H,2-12H2,1H3
InChIKeyAJGRVXKLERJCNX-UHFFFAOYSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(hexylsulfonylmethyl)cyclohexan-1-amine
CID 164606874
3-(butylsulfonylmethyl)piperidine
CID 82182109
4-hexadecylpiperidine
CID 54096875
propylsulfonylmethylcyclopropane
CID 20644601
3-(ethylsulfonylmethyl)pyrrolidine
CID 84656221
4-heptylpiperidine;methane
CID 144690559
1-octylsulfonylnonane
CID 19089492
1-ethylsulfonylheptane
CID 19089519
N-butyl-N-ethyl-1-piperidin-4-ylmethanesulfonamide
CID 54974040
(2R,5R)-2,5-bis(octylsulfonylmethyl)-1,4-dioxane
CID 98082915
N-butyl-N-cyclopropyl-1-piperidin-4-ylmethanesulfonamide
CID 54972450
1-(3-decylsulfonylpropyl)piperazine
CID 150001783

Frequently Asked Questions

What is the IUPAC name of 4-(heptylsulfonylmethyl)piperidine?
The IUPAC name of 4-(heptylsulfonylmethyl)piperidine (CID 82182021) is 4-(heptylsulfonylmethyl)piperidine.
What is the SMILES notation for 4-(heptylsulfonylmethyl)piperidine?
The canonical SMILES for 4-(heptylsulfonylmethyl)piperidine is CCCCCCCS(=O)(=O)CC1CCNCC1.
What is the InChIKey of 4-(heptylsulfonylmethyl)piperidine?
The InChIKey is AJGRVXKLERJCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-2-3-4-5-6-11-17(15,16)12-13-7-9-14-10-8-13/h13-14H,2-12H2,1H3.
What are the key properties of 4-(heptylsulfonylmethyl)piperidine?
4-(heptylsulfonylmethyl)piperidine has a molecular weight of 261.43 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(heptylsulfonylmethyl)piperidine is sourced from PubChem (CID 82182021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).