N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide

C17H25N3O3S — CID 125157866

IUPACN-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H](CNC(=O)c2cccc3c2NCCC3)C1
InChIInChI=1S/C17H25N3O3S/c1-24(22,23)20-10-4-5-13(12-20)11-19-17(21)15-8-2-6-14-7-3-9-18-16(14)15/h2,6,8,13,18H,3-5,7,9-12H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyJRCMZHPHJAZQCW-CYBMUJFWSA-N
MW351.47 g/mol
LogP1.45
Rot. Bonds4

About N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide

N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide (PubChem CID 125157866) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
PubChem CID125157866
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC NameN-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H](CNC(=O)c2cccc3c2NCCC3)C1
InChIInChI=1S/C17H25N3O3S/c1-24(22,23)20-10-4-5-13(12-20)11-19-17(21)15-8-2-6-14-7-3-9-18-16(14)15/h2,6,8,13,18H,3-5,7,9-12H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyJRCMZHPHJAZQCW-CYBMUJFWSA-N
XLogP1.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide with MolForge

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Related Compounds

N-[[1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 56722802
N-[(1-methylsulfonylpiperidin-3-yl)methyl]-3-pyridin-4-ylbenzamide
CID 118787590
N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62214906
N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62214552
7-fluoro-3-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 99932580
N-butyl-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62213109
N-[2-(cyclopropylamino)-2-oxoethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62212757
4-[(1-methylsulfonylpiperidin-3-yl)methylcarbamoyl]-1H-imidazole-5-carboxylic acid
CID 77078744
5-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methylcarbamoyl]thiophene-2-carboxylic acid
CID 129468254
1-(3-fluorophenyl)-3-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]urea
CID 95154909
N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 65041181
6-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-4-oxopyran-2-carboxamide
CID 125160476

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The IUPAC name of N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide (CID 125157866) is N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide is CS(=O)(=O)N1CCC[C@H](CNC(=O)c2cccc3c2NCCC3)C1.
What is the InChIKey of N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The InChIKey is JRCMZHPHJAZQCW-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-24(22,23)20-10-4-5-13(12-20)11-19-17(21)15-8-2-6-14-7-3-9-18-16(14)15/h2,6,8,13,18H,3-5,7,9-12H2,1H3,(H,19,21)/t13-/m1/s1.
What are the key properties of N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide has a molecular weight of 351.47 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 125157866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).