3-[2-(propan-2-ylsulfamoylamino)ethyl]-1H-quinolin-2-one

C14H19N3O3S — CID 110609025

IUPAC3-[2-(propan-2-ylsulfamoylamino)ethyl]-1H-quinolin-2-one
SMILESCC(C)NS(=O)(=O)NCCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C14H19N3O3S/c1-10(2)17-21(19,20)15-8-7-12-9-11-5-3-4-6-13(11)16-14(12)18/h3-6,9-10,15,17H,7-8H2,1-2H3,(H,16,18)
InChIKeySXOLJUDWQZDQBU-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.90
Rot. Bonds6

About 3-[2-(propan-2-ylsulfamoylamino)ethyl]-1H-quinolin-2-one

3-[2-(propan-2-ylsulfamoylamino)ethyl]-1H-quinolin-2-one (PubChem CID 110609025) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-[2-(propan-2-ylsulfamoylamino)ethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-(propan-2-ylsulfamoylamino)ethyl]-1H-quinolin-2-one
PubChem CID110609025
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name3-[2-(propan-2-ylsulfamoylamino)ethyl]-1H-quinolin-2-one
SMILESCC(C)NS(=O)(=O)NCCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C14H19N3O3S/c1-10(2)17-21(19,20)15-8-7-12-9-11-5-3-4-6-13(11)16-14(12)18/h3-6,9-10,15,17H,7-8H2,1-2H3,(H,16,18)
InChIKeySXOLJUDWQZDQBU-UHFFFAOYSA-N
XLogP0.90
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hydroxyquinoline
CID 6038
Prilocaine
CID 4906
4-Methylquinolin-2-ol
CID 69088
N-(2-Hydroxy-quinolin-4-ylmethyl)-N-phenyl-propionamide
CID 943545
3-methylquinolin-2(1H)-one
CID 440987
4-(Aminomethyl)-1,2-dihydroquinolin-2-one
CID 14816728
4-Amino-1,2-dihydroquinolin-2-one
CID 459666
N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 939075
N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide
CID 944274
N-Ethyl-N-(2-hydroxy-quinolin-4-ylmethyl)-isobutyramide
CID 945517
2-methyl-N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 947598
N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propylpropanamide
CID 2017572

Frequently Asked Questions

What is the IUPAC name of 3-[2-(propan-2-ylsulfamoylamino)ethyl]-1H-quinolin-2-one?
The IUPAC name of 3-[2-(propan-2-ylsulfamoylamino)ethyl]-1H-quinolin-2-one (CID 110609025) is 3-[2-(propan-2-ylsulfamoylamino)ethyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-(propan-2-ylsulfamoylamino)ethyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[2-(propan-2-ylsulfamoylamino)ethyl]-1H-quinolin-2-one is CC(C)NS(=O)(=O)NCCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 3-[2-(propan-2-ylsulfamoylamino)ethyl]-1H-quinolin-2-one?
The InChIKey is SXOLJUDWQZDQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-10(2)17-21(19,20)15-8-7-12-9-11-5-3-4-6-13(11)16-14(12)18/h3-6,9-10,15,17H,7-8H2,1-2H3,(H,16,18).
What are the key properties of 3-[2-(propan-2-ylsulfamoylamino)ethyl]-1H-quinolin-2-one?
3-[2-(propan-2-ylsulfamoylamino)ethyl]-1H-quinolin-2-one has a molecular weight of 309.39 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(propan-2-ylsulfamoylamino)ethyl]-1H-quinolin-2-one is sourced from PubChem (CID 110609025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).