1-(3-ethylthiophene-2-carbonyl)piperidine-4-carbothioamide

C13H18N2OS2 — CID 79975013

IUPAC1-(3-ethylthiophene-2-carbonyl)piperidine-4-carbothioamide
SMILESCCc1ccsc1C(=O)N1CCC(C(N)=S)CC1
InChIInChI=1S/C13H18N2OS2/c1-2-9-5-8-18-11(9)13(16)15-6-3-10(4-7-15)12(14)17/h5,8,10H,2-4,6-7H2,1H3,(H2,14,17)
InChIKeyILMWDLPPESQKLP-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.45
Rot. Bonds3

About 1-(3-ethylthiophene-2-carbonyl)piperidine-4-carbothioamide

1-(3-ethylthiophene-2-carbonyl)piperidine-4-carbothioamide (PubChem CID 79975013) has the molecular formula C13H18N2OS2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(3-ethylthiophene-2-carbonyl)piperidine-4-carbothioamide.

Molecular Properties

Compound Name1-(3-ethylthiophene-2-carbonyl)piperidine-4-carbothioamide
PubChem CID79975013
Molecular FormulaC13H18N2OS2
Molecular Weight282.43 g/mol
Exact Mass282.09
IUPAC Name1-(3-ethylthiophene-2-carbonyl)piperidine-4-carbothioamide
SMILESCCc1ccsc1C(=O)N1CCC(C(N)=S)CC1
InChIInChI=1S/C13H18N2OS2/c1-2-9-5-8-18-11(9)13(16)15-6-3-10(4-7-15)12(14)17/h5,8,10H,2-4,6-7H2,1H3,(H2,14,17)
InChIKeyILMWDLPPESQKLP-UHFFFAOYSA-N
XLogP2.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.45
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

[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-ethylthiophen-2-yl)methanone;hydrochloride
CID 119625339
ethyl 1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxylate
CID 61340323
[3-(bromomethyl)pyrrolidin-1-yl]-(3-ethylthiophen-2-yl)methanone
CID 80667681
1-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 136578666
1-[[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
CID 56792637
[4-(2-bromoethyl)piperazin-1-yl]-(3-ethylthiophen-2-yl)methanone
CID 80661017
(3-chloropiperidin-1-yl)-(3-ethylthiophen-2-yl)methanone
CID 79974966
6-(3-ethylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175481
(3-ethylthiophen-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263358
[4-(azetidin-3-yl)piperazin-1-yl]-(3-ethylthiophen-2-yl)methanone
CID 66202716
N-(2-aminoethyl)-1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxamide
CID 63252612
N-(2-aminoethyl)-1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482336

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylthiophene-2-carbonyl)piperidine-4-carbothioamide?
The IUPAC name of 1-(3-ethylthiophene-2-carbonyl)piperidine-4-carbothioamide (CID 79975013) is 1-(3-ethylthiophene-2-carbonyl)piperidine-4-carbothioamide.
What is the SMILES notation for 1-(3-ethylthiophene-2-carbonyl)piperidine-4-carbothioamide?
The canonical SMILES for 1-(3-ethylthiophene-2-carbonyl)piperidine-4-carbothioamide is CCc1ccsc1C(=O)N1CCC(C(N)=S)CC1.
What is the InChIKey of 1-(3-ethylthiophene-2-carbonyl)piperidine-4-carbothioamide?
The InChIKey is ILMWDLPPESQKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS2/c1-2-9-5-8-18-11(9)13(16)15-6-3-10(4-7-15)12(14)17/h5,8,10H,2-4,6-7H2,1H3,(H2,14,17).
What are the key properties of 1-(3-ethylthiophene-2-carbonyl)piperidine-4-carbothioamide?
1-(3-ethylthiophene-2-carbonyl)piperidine-4-carbothioamide has a molecular weight of 282.43 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylthiophene-2-carbonyl)piperidine-4-carbothioamide is sourced from PubChem (CID 79975013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).