N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

C15H22N2O2S — CID 106247626

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCSCC(C)(O)CNC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C15H22N2O2S/c1-15(19,10-20-2)9-17-14(18)12-5-6-13-11(8-12)4-3-7-16-13/h5-6,8,16,19H,3-4,7,9-10H2,1-2H3,(H,17,18)
InChIKeyANSGCVNCXYUFPD-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.89
Rot. Bonds5

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 106247626) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID106247626
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCSCC(C)(O)CNC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C15H22N2O2S/c1-15(19,10-20-2)9-17-14(18)12-5-6-13-11(8-12)4-3-7-16-13/h5-6,8,16,19H,3-4,7,9-10H2,1-2H3,(H,17,18)
InChIKeyANSGCVNCXYUFPD-UHFFFAOYSA-N
XLogP1.89
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 66177881
2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 115427981
N-(3-hydroxy-2,2-dimethylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 115360312
N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 65106509
N-(2-hydroxy-2,4-dimethylpentyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 66171666
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 106254086
N-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 61247768
N-(2-methoxy-2-methylpropyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104761350
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60926593
N-[3-(methylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 55118334
N-[2-(cyclopenten-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106175431
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61285006

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 106247626) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is CSCC(C)(O)CNC(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is ANSGCVNCXYUFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-15(19,10-20-2)9-17-14(18)12-5-6-13-11(8-12)4-3-7-16-13/h5-6,8,16,19H,3-4,7,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 106247626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).