N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]methanesulfonamide

C14H20N2O3S — CID 118741173

IUPACN-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCc2c(ccc(=O)n2CC2CC2)C1
InChIInChI=1S/C14H20N2O3S/c1-20(18,19)15-12-5-6-13-11(8-12)4-7-14(17)16(13)9-10-2-3-10/h4,7,10,12,15H,2-3,5-6,8-9H2,1H3
InChIKeyMICQQEMFCPYAAF-UHFFFAOYSA-N
MW296.39 g/mol
LogP0.66
Rot. Bonds4

About N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]methanesulfonamide

N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]methanesulfonamide (PubChem CID 118741173) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]methanesulfonamide
PubChem CID118741173
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCc2c(ccc(=O)n2CC2CC2)C1
InChIInChI=1S/C14H20N2O3S/c1-20(18,19)15-12-5-6-13-11(8-12)4-7-14(17)16(13)9-10-2-3-10/h4,7,10,12,15H,2-3,5-6,8-9H2,1H3
InChIKeyMICQQEMFCPYAAF-UHFFFAOYSA-N
XLogP0.66
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]methanesulfonamide?
The IUPAC name of N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]methanesulfonamide (CID 118741173) is N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]methanesulfonamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]methanesulfonamide is CS(=O)(=O)NC1CCc2c(ccc(=O)n2CC2CC2)C1.
What is the InChIKey of N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]methanesulfonamide?
The InChIKey is MICQQEMFCPYAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-20(18,19)15-12-5-6-13-11(8-12)4-7-14(17)16(13)9-10-2-3-10/h4,7,10,12,15H,2-3,5-6,8-9H2,1H3.
What are the key properties of N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]methanesulfonamide?
N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]methanesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]methanesulfonamide is sourced from PubChem (CID 118741173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).