1-[1-(3-methylbutylsulfinyl)pentan-2-yl]piperidine

C15H31NOS — CID 22256693

IUPAC1-[1-(3-methylbutylsulfinyl)pentan-2-yl]piperidine
SMILESCCCC(CS(=O)CCC(C)C)N1CCCCC1
InChIInChI=1S/C15H31NOS/c1-4-8-15(16-10-6-5-7-11-16)13-18(17)12-9-14(2)3/h14-15H,4-13H2,1-3H3
InChIKeyNUVNTLUAKVBWFN-UHFFFAOYSA-N
MW273.49 g/mol
LogP3.44
Rot. Bonds8

About 1-[1-(3-methylbutylsulfinyl)pentan-2-yl]piperidine

1-[1-(3-methylbutylsulfinyl)pentan-2-yl]piperidine (PubChem CID 22256693) has the molecular formula C15H31NOS and a molecular weight of 273.49 g/mol. Its IUPAC name is 1-[1-(3-methylbutylsulfinyl)pentan-2-yl]piperidine.

Molecular Properties

Compound Name1-[1-(3-methylbutylsulfinyl)pentan-2-yl]piperidine
PubChem CID22256693
Molecular FormulaC15H31NOS
Molecular Weight273.49 g/mol
Exact Mass273.21
IUPAC Name1-[1-(3-methylbutylsulfinyl)pentan-2-yl]piperidine
SMILESCCCC(CS(=O)CCC(C)C)N1CCCCC1
InChIInChI=1S/C15H31NOS/c1-4-8-15(16-10-6-5-7-11-16)13-18(17)12-9-14(2)3/h14-15H,4-13H2,1-3H3
InChIKeyNUVNTLUAKVBWFN-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.49
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylbutylsulfinyl)pentan-2-yl]piperidine?
The IUPAC name of 1-[1-(3-methylbutylsulfinyl)pentan-2-yl]piperidine (CID 22256693) is 1-[1-(3-methylbutylsulfinyl)pentan-2-yl]piperidine.
What is the SMILES notation for 1-[1-(3-methylbutylsulfinyl)pentan-2-yl]piperidine?
The canonical SMILES for 1-[1-(3-methylbutylsulfinyl)pentan-2-yl]piperidine is CCCC(CS(=O)CCC(C)C)N1CCCCC1.
What is the InChIKey of 1-[1-(3-methylbutylsulfinyl)pentan-2-yl]piperidine?
The InChIKey is NUVNTLUAKVBWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NOS/c1-4-8-15(16-10-6-5-7-11-16)13-18(17)12-9-14(2)3/h14-15H,4-13H2,1-3H3.
What are the key properties of 1-[1-(3-methylbutylsulfinyl)pentan-2-yl]piperidine?
1-[1-(3-methylbutylsulfinyl)pentan-2-yl]piperidine has a molecular weight of 273.49 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylbutylsulfinyl)pentan-2-yl]piperidine is sourced from PubChem (CID 22256693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).