N-cyclopropylsulfonyl-1,2,3,4-tetrahydroquinoline-3-carboxamide

C13H16N2O3S — CID 106901808

IUPACN-cyclopropylsulfonyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)C1CNc2ccccc2C1
InChIInChI=1S/C13H16N2O3S/c16-13(15-19(17,18)11-5-6-11)10-7-9-3-1-2-4-12(9)14-8-10/h1-4,10-11,14H,5-8H2,(H,15,16)
InChIKeyREXFHSNTRXMVIA-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.88
Rot. Bonds3

About N-cyclopropylsulfonyl-1,2,3,4-tetrahydroquinoline-3-carboxamide

N-cyclopropylsulfonyl-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 106901808) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-1,2,3,4-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID106901808
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-cyclopropylsulfonyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)C1CNc2ccccc2C1
InChIInChI=1S/C13H16N2O3S/c16-13(15-19(17,18)11-5-6-11)10-7-9-3-1-2-4-12(9)14-8-10/h1-4,10-11,14H,5-8H2,(H,15,16)
InChIKeyREXFHSNTRXMVIA-UHFFFAOYSA-N
XLogP0.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
N-(2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901213
N-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901174
N-pyridazin-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901781
N-(2-cyclobutylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901730
N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106135423
N-[(2S)-1-hydroxypropan-2-yl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 107219186
N-(2-oxoazepan-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901257
N-(3-hydroxy-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901707
N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901165
N-(1-cyclopropylpyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901425
N-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901173

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 106901808) is N-cyclopropylsulfonyl-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-1,2,3,4-tetrahydroquinoline-3-carboxamide is O=C(NS(=O)(=O)C1CC1)C1CNc2ccccc2C1.
What is the InChIKey of N-cyclopropylsulfonyl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is REXFHSNTRXMVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c16-13(15-19(17,18)11-5-6-11)10-7-9-3-1-2-4-12(9)14-8-10/h1-4,10-11,14H,5-8H2,(H,15,16).
What are the key properties of N-cyclopropylsulfonyl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
N-cyclopropylsulfonyl-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-1,2,3,4-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 106901808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).