N-(3-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide

C16H22N2OS — CID 104954846

IUPACN-(3-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCSC1CCC(NC(=O)c2cccc3c2CCCN3)C1
InChIInChI=1S/C16H22N2OS/c1-20-12-8-7-11(10-12)18-16(19)14-4-2-6-15-13(14)5-3-9-17-15/h2,4,6,11-12,17H,3,5,7-10H2,1H3,(H,18,19)
InChIKeyBZEYYSLNRMCVQE-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.06
Rot. Bonds3

About N-(3-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide

N-(3-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide (PubChem CID 104954846) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(3-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
PubChem CID104954846
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-(3-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCSC1CCC(NC(=O)c2cccc3c2CCCN3)C1
InChIInChI=1S/C16H22N2OS/c1-20-12-8-7-11(10-12)18-16(19)14-4-2-6-15-13(14)5-3-9-17-15/h2,4,6,11-12,17H,3,5,7-10H2,1H3,(H,18,19)
InChIKeyBZEYYSLNRMCVQE-UHFFFAOYSA-N
XLogP3.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62849698
cyclopropyl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 116610491
N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850406
N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850400
N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 63244251
N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850225
3-iodo-N-(3-methylsulfanylcyclopentyl)benzamide
CID 103708502
2-bromo-N-(3-methylsulfanylcyclopentyl)-3-nitrobenzamide
CID 106547462
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 107852782
3-hydroxy-N-(3-methylsulfanylcyclopentyl)pyridine-4-carboxamide
CID 103762366
N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127073
N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127025

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-(3-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide (CID 104954846) is N-(3-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-(3-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-(3-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide is CSC1CCC(NC(=O)c2cccc3c2CCCN3)C1.
What is the InChIKey of N-(3-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The InChIKey is BZEYYSLNRMCVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-20-12-8-7-11(10-12)18-16(19)14-4-2-6-15-13(14)5-3-9-17-15/h2,4,6,11-12,17H,3,5,7-10H2,1H3,(H,18,19).
What are the key properties of N-(3-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
N-(3-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 104954846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).