1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carbothioamide

C14H24N2OS — CID 66478043

IUPAC1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carbothioamide
SMILESCC1(C)C(C(=O)N2CCCC(C(N)=S)C2)C1(C)C
InChIInChI=1S/C14H24N2OS/c1-13(2)10(14(13,3)4)12(17)16-7-5-6-9(8-16)11(15)18/h9-10H,5-8H2,1-4H3,(H2,15,18)
InChIKeyXEEIPKNKVPLVGX-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.19
Rot. Bonds2

About 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carbothioamide

1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carbothioamide (PubChem CID 66478043) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carbothioamide.

Molecular Properties

Compound Name1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carbothioamide
PubChem CID66478043
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carbothioamide
SMILESCC1(C)C(C(=O)N2CCCC(C(N)=S)C2)C1(C)C
InChIInChI=1S/C14H24N2OS/c1-13(2)10(14(13,3)4)12(17)16-7-5-6-9(8-16)11(15)18/h9-10H,5-8H2,1-4H3,(H2,15,18)
InChIKeyXEEIPKNKVPLVGX-UHFFFAOYSA-N
XLogP2.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carboxylic acid
CID 81120844
[3-(aminomethyl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476448
1-(2-methyloxolane-3-carbonyl)piperidine-3-carbothioamide
CID 79758803
1-(adamantane-2-carbonyl)piperidine-3-carbothioamide
CID 81100539
1-(2-cyclobutylacetyl)piperidine-3-carbothioamide
CID 103163717
3-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159569
2-[4-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperazin-1-yl]propanethioamide
CID 66477659
(4-amino-3-methylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 79879328
1-(pyrimidine-5-carbonyl)piperidine-3-carbothioamide
CID 102921864
1-(2-methylsulfanylbenzoyl)piperidine-3-carbothioamide
CID 79215136
1-(4-methoxypentanoyl)piperidine-3-carbothioamide
CID 113382163
3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 80707295

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carbothioamide?
The IUPAC name of 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carbothioamide (CID 66478043) is 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carbothioamide.
What is the SMILES notation for 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carbothioamide?
The canonical SMILES for 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carbothioamide is CC1(C)C(C(=O)N2CCCC(C(N)=S)C2)C1(C)C.
What is the InChIKey of 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carbothioamide?
The InChIKey is XEEIPKNKVPLVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-13(2)10(14(13,3)4)12(17)16-7-5-6-9(8-16)11(15)18/h9-10H,5-8H2,1-4H3,(H2,15,18).
What are the key properties of 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carbothioamide?
1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carbothioamide has a molecular weight of 268.43 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-3-carbothioamide is sourced from PubChem (CID 66478043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).