4-(2-methylpropyl)-1-propylsulfonylpiperidine

C12H25NO2S — CID 22969462

IUPAC4-(2-methylpropyl)-1-propylsulfonylpiperidine
SMILESCCCS(=O)(=O)N1CCC(CC(C)C)CC1
InChIInChI=1S/C12H25NO2S/c1-4-9-16(14,15)13-7-5-12(6-8-13)10-11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyHFAZPZDDRAKLJT-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.48
Rot. Bonds5

About 4-(2-methylpropyl)-1-propylsulfonylpiperidine

4-(2-methylpropyl)-1-propylsulfonylpiperidine (PubChem CID 22969462) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 4-(2-methylpropyl)-1-propylsulfonylpiperidine.

Molecular Properties

Compound Name4-(2-methylpropyl)-1-propylsulfonylpiperidine
PubChem CID22969462
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name4-(2-methylpropyl)-1-propylsulfonylpiperidine
SMILESCCCS(=O)(=O)N1CCC(CC(C)C)CC1
InChIInChI=1S/C12H25NO2S/c1-4-9-16(14,15)13-7-5-12(6-8-13)10-11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyHFAZPZDDRAKLJT-UHFFFAOYSA-N
XLogP2.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-1-propylsulfonylpiperidine?
The IUPAC name of 4-(2-methylpropyl)-1-propylsulfonylpiperidine (CID 22969462) is 4-(2-methylpropyl)-1-propylsulfonylpiperidine.
What is the SMILES notation for 4-(2-methylpropyl)-1-propylsulfonylpiperidine?
The canonical SMILES for 4-(2-methylpropyl)-1-propylsulfonylpiperidine is CCCS(=O)(=O)N1CCC(CC(C)C)CC1.
What is the InChIKey of 4-(2-methylpropyl)-1-propylsulfonylpiperidine?
The InChIKey is HFAZPZDDRAKLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-4-9-16(14,15)13-7-5-12(6-8-13)10-11(2)3/h11-12H,4-10H2,1-3H3.
What are the key properties of 4-(2-methylpropyl)-1-propylsulfonylpiperidine?
4-(2-methylpropyl)-1-propylsulfonylpiperidine has a molecular weight of 247.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-1-propylsulfonylpiperidine is sourced from PubChem (CID 22969462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).