N-(1,2,3,4-tetrahydroquinolin-6-yl)thiolane-2-carboxamide;hydrochloride

C14H19ClN2OS — CID 119547205

IUPACN-(1,2,3,4-tetrahydroquinolin-6-yl)thiolane-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2c(c1)CCCN2)C1CCCS1
InChIInChI=1S/C14H18N2OS.ClH/c17-14(13-4-2-8-18-13)16-11-5-6-12-10(9-11)3-1-7-15-12;/h5-6,9,13,15H,1-4,7-8H2,(H,16,17);1H
InChIKeyIGKPNJPNSPLKLR-UHFFFAOYSA-N
MW298.84 g/mol
LogP3.30
Rot. Bonds2

About N-(1,2,3,4-tetrahydroquinolin-6-yl)thiolane-2-carboxamide;hydrochloride

N-(1,2,3,4-tetrahydroquinolin-6-yl)thiolane-2-carboxamide;hydrochloride (PubChem CID 119547205) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroquinolin-6-yl)thiolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroquinolin-6-yl)thiolane-2-carboxamide;hydrochloride
PubChem CID119547205
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC NameN-(1,2,3,4-tetrahydroquinolin-6-yl)thiolane-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2c(c1)CCCN2)C1CCCS1
InChIInChI=1S/C14H18N2OS.ClH/c17-14(13-4-2-8-18-13)16-11-5-6-12-10(9-11)3-1-7-15-12;/h5-6,9,13,15H,1-4,7-8H2,(H,16,17);1H
InChIKeyIGKPNJPNSPLKLR-UHFFFAOYSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1,2,3,4-tetrahydroquinolin-6-yl)thiolane-2-carboxamide;hydrochloride 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

N-(1,2,3,4-tetrahydroquinolin-6-yl)cycloheptanecarboxamide
CID 62633858
2-oxo-N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazolidine-4-carboxamide
CID 63283396
1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-6-yl)urea
CID 62698159
N-(1,2,3,4-tetrahydroquinolin-6-yl)cyclopent-3-ene-1-carboxamide
CID 64767021
N-(1,2,3,4-tetrahydroquinolin-6-yl)oxolane-3-carboxamide
CID 55138702
N-(2,3-dihydro-1H-indol-5-yl)cyclobutanecarboxamide
CID 63252649
N-(1,2,3,4-tetrahydroquinolin-6-yl)oxane-3-carboxamide
CID 63012221
N-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride
CID 119547336
N-(2,3-dihydro-1H-indol-5-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81479241
2-(cyclopropylmethylamino)-N-(1,2,3,4-tetrahydroquinolin-6-yl)acetamide
CID 122080484
3-cyclopentyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)propanamide
CID 62632415
2-phenyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiomorpholine-4-carboxamide
CID 154746149

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroquinolin-6-yl)thiolane-2-carboxamide;hydrochloride?
The IUPAC name of N-(1,2,3,4-tetrahydroquinolin-6-yl)thiolane-2-carboxamide;hydrochloride (CID 119547205) is N-(1,2,3,4-tetrahydroquinolin-6-yl)thiolane-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1,2,3,4-tetrahydroquinolin-6-yl)thiolane-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1,2,3,4-tetrahydroquinolin-6-yl)thiolane-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc2c(c1)CCCN2)C1CCCS1.
What is the InChIKey of N-(1,2,3,4-tetrahydroquinolin-6-yl)thiolane-2-carboxamide;hydrochloride?
The InChIKey is IGKPNJPNSPLKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS.ClH/c17-14(13-4-2-8-18-13)16-11-5-6-12-10(9-11)3-1-7-15-12;/h5-6,9,13,15H,1-4,7-8H2,(H,16,17);1H.
What are the key properties of N-(1,2,3,4-tetrahydroquinolin-6-yl)thiolane-2-carboxamide;hydrochloride?
N-(1,2,3,4-tetrahydroquinolin-6-yl)thiolane-2-carboxamide;hydrochloride has a molecular weight of 298.84 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroquinolin-6-yl)thiolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119547205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).