1-butylsulfonyl-4-propan-2-ylpiperidine

C12H25NO2S — CID 20712244

IUPAC1-butylsulfonyl-4-propan-2-ylpiperidine
SMILESCCCCS(=O)(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C12H25NO2S/c1-4-5-10-16(14,15)13-8-6-12(7-9-13)11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyFSQXPDZLOPNETQ-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.48
Rot. Bonds5

About 1-butylsulfonyl-4-propan-2-ylpiperidine

1-butylsulfonyl-4-propan-2-ylpiperidine (PubChem CID 20712244) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 1-butylsulfonyl-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-butylsulfonyl-4-propan-2-ylpiperidine
PubChem CID20712244
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name1-butylsulfonyl-4-propan-2-ylpiperidine
SMILESCCCCS(=O)(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C12H25NO2S/c1-4-5-10-16(14,15)13-8-6-12(7-9-13)11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyFSQXPDZLOPNETQ-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 1-butylsulfonyl-4-propan-2-ylpiperidine?
The IUPAC name of 1-butylsulfonyl-4-propan-2-ylpiperidine (CID 20712244) is 1-butylsulfonyl-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-butylsulfonyl-4-propan-2-ylpiperidine?
The canonical SMILES for 1-butylsulfonyl-4-propan-2-ylpiperidine is CCCCS(=O)(=O)N1CCC(C(C)C)CC1.
What is the InChIKey of 1-butylsulfonyl-4-propan-2-ylpiperidine?
The InChIKey is FSQXPDZLOPNETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-4-5-10-16(14,15)13-8-6-12(7-9-13)11(2)3/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-butylsulfonyl-4-propan-2-ylpiperidine?
1-butylsulfonyl-4-propan-2-ylpiperidine 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 1-butylsulfonyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 20712244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).