2-(2-piperidin-1-ylethoxy)naphthalene-1-carbothioamide

C18H22N2OS — CID 20987051

IUPAC2-(2-piperidin-1-ylethoxy)naphthalene-1-carbothioamide
SMILESNC(=S)c1c(OCCN2CCCCC2)ccc2ccccc12
InChIInChI=1S/C18H22N2OS/c19-18(22)17-15-7-3-2-6-14(15)8-9-16(17)21-13-12-20-10-4-1-5-11-20/h2-3,6-9H,1,4-5,10-13H2,(H2,19,22)
InChIKeyLDWGKJOZEQIYSE-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.34
Rot. Bonds5

About 2-(2-piperidin-1-ylethoxy)naphthalene-1-carbothioamide

2-(2-piperidin-1-ylethoxy)naphthalene-1-carbothioamide (PubChem CID 20987051) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-(2-piperidin-1-ylethoxy)naphthalene-1-carbothioamide.

Molecular Properties

Compound Name2-(2-piperidin-1-ylethoxy)naphthalene-1-carbothioamide
PubChem CID20987051
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name2-(2-piperidin-1-ylethoxy)naphthalene-1-carbothioamide
SMILESNC(=S)c1c(OCCN2CCCCC2)ccc2ccccc12
InChIInChI=1S/C18H22N2OS/c19-18(22)17-15-7-3-2-6-14(15)8-9-16(17)21-13-12-20-10-4-1-5-11-20/h2-3,6-9H,1,4-5,10-13H2,(H2,19,22)
InChIKeyLDWGKJOZEQIYSE-UHFFFAOYSA-N
XLogP3.34
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-piperidin-1-ylethoxy)naphthalene-1-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(azocan-1-yl)ethoxy]benzenecarbothioamide
CID 43290517
1-[2-(1-bromonaphthalen-2-yl)oxyethyl]piperidine
CID 63529278
N-[[2-(2-pyrrolidin-1-ylethoxy)naphthalen-1-yl]methyl]ethanamine
CID 39313180
2-[2-(2,4-dichlorophenoxy)ethoxy]naphthalene-1-carbothioamide
CID 22680823
2-[2-(2,3,6-trimethylphenoxy)ethoxy]naphthalene-1-carbothioamide
CID 22681366
2-[2-(2-tert-butylphenoxy)ethoxy]naphthalene-1-carbothioamide
CID 20986366
1-[2-(4-methylnaphthalen-1-yl)oxyethyl]piperidine
CID 71054217
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
3-ethoxy-4-(2-piperidin-1-ylethoxy)benzenecarbothioamide
CID 20993050
2-[2-(2,5-dichlorophenoxy)ethoxy]naphthalene-1-carbothioamide
CID 22687058
2-[1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-yl]oxyethanol
CID 57388624
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-1-ylethoxy)naphthalene-1-carbothioamide?
The IUPAC name of 2-(2-piperidin-1-ylethoxy)naphthalene-1-carbothioamide (CID 20987051) is 2-(2-piperidin-1-ylethoxy)naphthalene-1-carbothioamide.
What is the SMILES notation for 2-(2-piperidin-1-ylethoxy)naphthalene-1-carbothioamide?
The canonical SMILES for 2-(2-piperidin-1-ylethoxy)naphthalene-1-carbothioamide is NC(=S)c1c(OCCN2CCCCC2)ccc2ccccc12.
What is the InChIKey of 2-(2-piperidin-1-ylethoxy)naphthalene-1-carbothioamide?
The InChIKey is LDWGKJOZEQIYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c19-18(22)17-15-7-3-2-6-14(15)8-9-16(17)21-13-12-20-10-4-1-5-11-20/h2-3,6-9H,1,4-5,10-13H2,(H2,19,22).
What are the key properties of 2-(2-piperidin-1-ylethoxy)naphthalene-1-carbothioamide?
2-(2-piperidin-1-ylethoxy)naphthalene-1-carbothioamide has a molecular weight of 314.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-1-ylethoxy)naphthalene-1-carbothioamide is sourced from PubChem (CID 20987051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).