6-[(diethylsulfamoylamino)methyl]-1-methyl-3,4-dihydro-2H-quinoline

C15H25N3O2S — CID 86870483

IUPAC6-[(diethylsulfamoylamino)methyl]-1-methyl-3,4-dihydro-2H-quinoline
SMILESCCN(CC)S(=O)(=O)NCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C15H25N3O2S/c1-4-18(5-2)21(19,20)16-12-13-8-9-15-14(11-13)7-6-10-17(15)3/h8-9,11,16H,4-7,10,12H2,1-3H3
InChIKeyMZUCQGZUKSYCTD-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.75
Rot. Bonds6

About 6-[(diethylsulfamoylamino)methyl]-1-methyl-3,4-dihydro-2H-quinoline

6-[(diethylsulfamoylamino)methyl]-1-methyl-3,4-dihydro-2H-quinoline (PubChem CID 86870483) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 6-[(diethylsulfamoylamino)methyl]-1-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-[(diethylsulfamoylamino)methyl]-1-methyl-3,4-dihydro-2H-quinoline
PubChem CID86870483
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name6-[(diethylsulfamoylamino)methyl]-1-methyl-3,4-dihydro-2H-quinoline
SMILESCCN(CC)S(=O)(=O)NCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C15H25N3O2S/c1-4-18(5-2)21(19,20)16-12-13-8-9-15-14(11-13)7-6-10-17(15)3/h8-9,11,16H,4-7,10,12H2,1-3H3
InChIKeyMZUCQGZUKSYCTD-UHFFFAOYSA-N
XLogP1.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099812
1-[[4-[(diethylsulfamoylamino)methyl]phenyl]methyl]-2-oxopyrrolidine
CID 87033069
1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
CID 110478717
4-ethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62097544
N',N'-dimethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethane-1,2-diamine
CID 62072227
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 71882369
4-ethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclohexan-1-amine
CID 63453890
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]prop-2-en-1-amine
CID 62072231
2,2,3,3-tetramethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclopropan-1-amine
CID 79351945
(2R)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]butan-1-ol
CID 113498869
N-ethyl-2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]ethanesulfonamide
CID 103838340
2-[ethyl-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]amino]-2-methylpropanoic acid
CID 65061623

Frequently Asked Questions

What is the IUPAC name of 6-[(diethylsulfamoylamino)methyl]-1-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-[(diethylsulfamoylamino)methyl]-1-methyl-3,4-dihydro-2H-quinoline (CID 86870483) is 6-[(diethylsulfamoylamino)methyl]-1-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-[(diethylsulfamoylamino)methyl]-1-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-[(diethylsulfamoylamino)methyl]-1-methyl-3,4-dihydro-2H-quinoline is CCN(CC)S(=O)(=O)NCc1ccc2c(c1)CCCN2C.
What is the InChIKey of 6-[(diethylsulfamoylamino)methyl]-1-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is MZUCQGZUKSYCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-18(5-2)21(19,20)16-12-13-8-9-15-14(11-13)7-6-10-17(15)3/h8-9,11,16H,4-7,10,12H2,1-3H3.
What are the key properties of 6-[(diethylsulfamoylamino)methyl]-1-methyl-3,4-dihydro-2H-quinoline?
6-[(diethylsulfamoylamino)methyl]-1-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 311.45 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(diethylsulfamoylamino)methyl]-1-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 86870483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).