1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-3-carbothioamide

C14H26N2OS — CID 114621322

IUPAC1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-3-carbothioamide
SMILESCC1(C)CC(N2CCCC(C(N)=S)C2)C(C)(C)O1
InChIInChI=1S/C14H26N2OS/c1-13(2)8-11(14(3,4)17-13)16-7-5-6-10(9-16)12(15)18/h10-11H,5-9H2,1-4H3,(H2,15,18)
InChIKeyWCWCGIHPLPTOTH-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.33
Rot. Bonds2

About 1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-3-carbothioamide

1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-3-carbothioamide (PubChem CID 114621322) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-3-carbothioamide.

Molecular Properties

Compound Name1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-3-carbothioamide
PubChem CID114621322
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-3-carbothioamide
SMILESCC1(C)CC(N2CCCC(C(N)=S)C2)C(C)(C)O1
InChIInChI=1S/C14H26N2OS/c1-13(2)8-11(14(3,4)17-13)16-7-5-6-10(9-16)12(15)18/h10-11H,5-9H2,1-4H3,(H2,15,18)
InChIKeyWCWCGIHPLPTOTH-UHFFFAOYSA-N
XLogP2.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methanol
CID 114623860
1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-3-carboxylic acid
CID 79934218
1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine
CID 79926969
2-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814212
1-(2,2,5,5-tetramethyloxolan-3-yl)azetidin-3-ol
CID 114623874
1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-4-carboxylic acid
CID 79933599
4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-3-amine
CID 103575207
3-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)azetidin-3-ol
CID 114623881
2-[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-yl]ethanamine
CID 79926978
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-2-carbothioamide
CID 18941091
4-pyrrolidin-2-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine
CID 79927218
N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-yl]methyl]propan-1-amine
CID 114624087

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-3-carbothioamide?
The IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-3-carbothioamide (CID 114621322) is 1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-3-carbothioamide.
What is the SMILES notation for 1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-3-carbothioamide?
The canonical SMILES for 1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-3-carbothioamide is CC1(C)CC(N2CCCC(C(N)=S)C2)C(C)(C)O1.
What is the InChIKey of 1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-3-carbothioamide?
The InChIKey is WCWCGIHPLPTOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-13(2)8-11(14(3,4)17-13)16-7-5-6-10(9-16)12(15)18/h10-11H,5-9H2,1-4H3,(H2,15,18).
What are the key properties of 1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-3-carbothioamide?
1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-3-carbothioamide has a molecular weight of 270.44 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-3-carbothioamide is sourced from PubChem (CID 114621322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).