8-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide

C15H22N2O3S — CID 82716150

IUPAC8-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCOC2C)c2c1NCCC2
InChIInChI=1S/C15H22N2O3S/c1-10-5-6-14(12-4-3-8-16-15(10)12)21(18,19)17-13-7-9-20-11(13)2/h5-6,11,13,16-17H,3-4,7-9H2,1-2H3
InChIKeyDHHVEVKCGOBLTE-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.81
Rot. Bonds3

About 8-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide

8-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide (PubChem CID 82716150) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 8-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide.

Molecular Properties

Compound Name8-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide
PubChem CID82716150
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name8-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCOC2C)c2c1NCCC2
InChIInChI=1S/C15H22N2O3S/c1-10-5-6-14(12-4-3-8-16-15(10)12)21(18,19)17-13-7-9-20-11(13)2/h5-6,11,13,16-17H,3-4,7-9H2,1-2H3
InChIKeyDHHVEVKCGOBLTE-UHFFFAOYSA-N
XLogP1.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-[(2-methyloxolan-3-yl)sulfamoyl]benzoic acid
CID 82726035
N-hexan-3-yl-8-methyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 62117847
2,4-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82736291
2-[(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)sulfonylamino]ethyl carbamate
CID 83205594
3-amino-2-bromo-5-chloro-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82725620
2-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076318
N,8-dimethyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 60999425
3-(aminomethyl)-5-chloro-2-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076335
2-[(2-methyloxolan-3-yl)sulfamoyl]benzenecarbothioamide
CID 82728362
5-(aminomethyl)-2-bromo-N-(2-methyloxolan-3-yl)furan-3-sulfonamide
CID 106076206
2-methyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106076237
4-[2-(ethylamino)ethyl]-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076304

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The IUPAC name of 8-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide (CID 82716150) is 8-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide.
What is the SMILES notation for 8-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The canonical SMILES for 8-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide is Cc1ccc(S(=O)(=O)NC2CCOC2C)c2c1NCCC2.
What is the InChIKey of 8-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The InChIKey is DHHVEVKCGOBLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10-5-6-14(12-4-3-8-16-15(10)12)21(18,19)17-13-7-9-20-11(13)2/h5-6,11,13,16-17H,3-4,7-9H2,1-2H3.
What are the key properties of 8-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
8-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide is sourced from PubChem (CID 82716150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).