2,6-dimethyl-N-octylpiperidine-1-carbothioamide

C16H32N2S — CID 3437179

IUPAC2,6-dimethyl-N-octylpiperidine-1-carbothioamide
SMILESCCCCCCCCNC(=S)N1C(C)CCCC1C
InChIInChI=1S/C16H32N2S/c1-4-5-6-7-8-9-13-17-16(19)18-14(2)11-10-12-15(18)3/h14-15H,4-13H2,1-3H3,(H,17,19)
InChIKeyZWNZWOJOFORLCV-UHFFFAOYSA-N
MW284.51 g/mol
LogP4.48
Rot. Bonds7

About 2,6-dimethyl-N-octylpiperidine-1-carbothioamide

2,6-dimethyl-N-octylpiperidine-1-carbothioamide (PubChem CID 3437179) has the molecular formula C16H32N2S and a molecular weight of 284.51 g/mol. Its IUPAC name is 2,6-dimethyl-N-octylpiperidine-1-carbothioamide.

Molecular Properties

Compound Name2,6-dimethyl-N-octylpiperidine-1-carbothioamide
PubChem CID3437179
Molecular FormulaC16H32N2S
Molecular Weight284.51 g/mol
Exact Mass284.23
IUPAC Name2,6-dimethyl-N-octylpiperidine-1-carbothioamide
SMILESCCCCCCCCNC(=S)N1C(C)CCCC1C
InChIInChI=1S/C16H32N2S/c1-4-5-6-7-8-9-13-17-16(19)18-14(2)11-10-12-15(18)3/h14-15H,4-13H2,1-3H3,(H,17,19)
InChIKeyZWNZWOJOFORLCV-UHFFFAOYSA-N
XLogP4.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.51
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-octylpiperidine-1-carbothioamide?
The IUPAC name of 2,6-dimethyl-N-octylpiperidine-1-carbothioamide (CID 3437179) is 2,6-dimethyl-N-octylpiperidine-1-carbothioamide.
What is the SMILES notation for 2,6-dimethyl-N-octylpiperidine-1-carbothioamide?
The canonical SMILES for 2,6-dimethyl-N-octylpiperidine-1-carbothioamide is CCCCCCCCNC(=S)N1C(C)CCCC1C.
What is the InChIKey of 2,6-dimethyl-N-octylpiperidine-1-carbothioamide?
The InChIKey is ZWNZWOJOFORLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2S/c1-4-5-6-7-8-9-13-17-16(19)18-14(2)11-10-12-15(18)3/h14-15H,4-13H2,1-3H3,(H,17,19).
What are the key properties of 2,6-dimethyl-N-octylpiperidine-1-carbothioamide?
2,6-dimethyl-N-octylpiperidine-1-carbothioamide has a molecular weight of 284.51 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-octylpiperidine-1-carbothioamide is sourced from PubChem (CID 3437179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).