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

C15H22N2O3S — CID 97464155

IUPACN-[(6R)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H]1CCc2c(ccc(=O)n2CC2CC2)C1
InChIInChI=1S/C15H22N2O3S/c1-2-21(19,20)16-13-6-7-14-12(9-13)5-8-15(18)17(14)10-11-3-4-11/h5,8,11,13,16H,2-4,6-7,9-10H2,1H3/t13-/m1/s1
InChIKeySNXQJHXOMQTHNI-CYBMUJFWSA-N
MW310.42 g/mol
LogP1.05
Rot. Bonds5

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

N-[(6R)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]ethanesulfonamide (PubChem CID 97464155) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[(6R)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(6R)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]ethanesulfonamide
PubChem CID97464155
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[(6R)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H]1CCc2c(ccc(=O)n2CC2CC2)C1
InChIInChI=1S/C15H22N2O3S/c1-2-21(19,20)16-13-6-7-14-12(9-13)5-8-15(18)17(14)10-11-3-4-11/h5,8,11,13,16H,2-4,6-7,9-10H2,1H3/t13-/m1/s1
InChIKeySNXQJHXOMQTHNI-CYBMUJFWSA-N
XLogP1.05
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6R)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]ethanesulfonamide?
The IUPAC name of N-[(6R)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]ethanesulfonamide (CID 97464155) is N-[(6R)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]ethanesulfonamide.
What is the SMILES notation for N-[(6R)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]ethanesulfonamide?
The canonical SMILES for N-[(6R)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]ethanesulfonamide is CCS(=O)(=O)N[C@@H]1CCc2c(ccc(=O)n2CC2CC2)C1.
What is the InChIKey of N-[(6R)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]ethanesulfonamide?
The InChIKey is SNXQJHXOMQTHNI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-2-21(19,20)16-13-6-7-14-12(9-13)5-8-15(18)17(14)10-11-3-4-11/h5,8,11,13,16H,2-4,6-7,9-10H2,1H3/t13-/m1/s1.
What are the key properties of N-[(6R)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]ethanesulfonamide?
N-[(6R)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]ethanesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6R)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]ethanesulfonamide is sourced from PubChem (CID 97464155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).