N-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide

C15H22N2O3S — CID 139012528

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide
SMILESCN1CCCc2ccc(S(=O)(=O)NCC(O)C3CC3)cc21
InChIInChI=1S/C15H22N2O3S/c1-17-8-2-3-11-6-7-13(9-14(11)17)21(19,20)16-10-15(18)12-4-5-12/h6-7,9,12,15-16,18H,2-5,8,10H2,1H3
InChIKeyFUNXUXCVJZRPGY-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.12
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide

N-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide (PubChem CID 139012528) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide
PubChem CID139012528
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide
SMILESCN1CCCc2ccc(S(=O)(=O)NCC(O)C3CC3)cc21
InChIInChI=1S/C15H22N2O3S/c1-17-8-2-3-11-6-7-13(9-14(11)17)21(19,20)16-10-15(18)12-4-5-12/h6-7,9,12,15-16,18H,2-5,8,10H2,1H3
InChIKeyFUNXUXCVJZRPGY-UHFFFAOYSA-N
XLogP1.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide (CID 139012528) is N-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide is CN1CCCc2ccc(S(=O)(=O)NCC(O)C3CC3)cc21.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide?
The InChIKey is FUNXUXCVJZRPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-17-8-2-3-11-6-7-13(9-14(11)17)21(19,20)16-10-15(18)12-4-5-12/h6-7,9,12,15-16,18H,2-5,8,10H2,1H3.
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide?
N-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide is sourced from PubChem (CID 139012528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).