ethane;1-(4-methylphenyl)sulfinylpiperidine

C16H29NOS — CID 178050291

IUPACethane;1-(4-methylphenyl)sulfinylpiperidine
SMILESCC.CC.Cc1ccc(S(=O)N2CCCCC2)cc1
InChIInChI=1S/C12H17NOS.2C2H6/c1-11-5-7-12(8-6-11)15(14)13-9-3-2-4-10-13;2*1-2/h5-8H,2-4,9-10H2,1H3;2*1-2H3
InChIKeyUKPZFXMSTLIQNM-UHFFFAOYSA-N
MW283.48 g/mol
LogP4.56
Rot. Bonds2

About ethane;1-(4-methylphenyl)sulfinylpiperidine

ethane;1-(4-methylphenyl)sulfinylpiperidine (PubChem CID 178050291) has the molecular formula C16H29NOS and a molecular weight of 283.48 g/mol. Its IUPAC name is ethane;1-(4-methylphenyl)sulfinylpiperidine.

Molecular Properties

Compound Nameethane;1-(4-methylphenyl)sulfinylpiperidine
PubChem CID178050291
Molecular FormulaC16H29NOS
Molecular Weight283.48 g/mol
Exact Mass283.20
IUPAC Nameethane;1-(4-methylphenyl)sulfinylpiperidine
SMILESCC.CC.Cc1ccc(S(=O)N2CCCCC2)cc1
InChIInChI=1S/C12H17NOS.2C2H6/c1-11-5-7-12(8-6-11)15(14)13-9-3-2-4-10-13;2*1-2/h5-8H,2-4,9-10H2,1H3;2*1-2H3
InChIKeyUKPZFXMSTLIQNM-UHFFFAOYSA-N
XLogP4.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methylphenyl)sulfinylpiperidine?
The IUPAC name of ethane;1-(4-methylphenyl)sulfinylpiperidine (CID 178050291) is ethane;1-(4-methylphenyl)sulfinylpiperidine.
What is the SMILES notation for ethane;1-(4-methylphenyl)sulfinylpiperidine?
The canonical SMILES for ethane;1-(4-methylphenyl)sulfinylpiperidine is CC.CC.Cc1ccc(S(=O)N2CCCCC2)cc1.
What is the InChIKey of ethane;1-(4-methylphenyl)sulfinylpiperidine?
The InChIKey is UKPZFXMSTLIQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS.2C2H6/c1-11-5-7-12(8-6-11)15(14)13-9-3-2-4-10-13;2*1-2/h5-8H,2-4,9-10H2,1H3;2*1-2H3.
What are the key properties of ethane;1-(4-methylphenyl)sulfinylpiperidine?
ethane;1-(4-methylphenyl)sulfinylpiperidine has a molecular weight of 283.48 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methylphenyl)sulfinylpiperidine is sourced from PubChem (CID 178050291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).