N-(cyclopentylsulfamoyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-amine

C16H25N3O4S2 — CID 110623316

IUPACN-(cyclopentylsulfamoyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-amine
SMILESCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)NC3CCCC3)ccc21
InChIInChI=1S/C16H25N3O4S2/c1-2-24(20,21)19-11-5-6-13-12-15(9-10-16(13)19)18-25(22,23)17-14-7-3-4-8-14/h9-10,12,14,17-18H,2-8,11H2,1H3
InChIKeyYDPYZOPSGFSCMO-UHFFFAOYSA-N
MW387.53 g/mol
LogP1.98
Rot. Bonds6

About N-(cyclopentylsulfamoyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-amine

N-(cyclopentylsulfamoyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-amine (PubChem CID 110623316) has the molecular formula C16H25N3O4S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-(cyclopentylsulfamoyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-amine.

Molecular Properties

Compound NameN-(cyclopentylsulfamoyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-amine
PubChem CID110623316
Molecular FormulaC16H25N3O4S2
Molecular Weight387.53 g/mol
Exact Mass387.13
IUPAC NameN-(cyclopentylsulfamoyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-amine
SMILESCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)NC3CCCC3)ccc21
InChIInChI=1S/C16H25N3O4S2/c1-2-24(20,21)19-11-5-6-13-12-15(9-10-16(13)19)18-25(22,23)17-14-7-3-4-8-14/h9-10,12,14,17-18H,2-8,11H2,1H3
InChIKeyYDPYZOPSGFSCMO-UHFFFAOYSA-N
XLogP1.98
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopentylsulfamoyl)-1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine
CID 110622796
[6-(cyclopentylsulfamoylamino)-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
CID 110623260
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,4-dimethylbenzenesulfonamide
CID 27656188
1-methylsulfonyl-N-(propylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine
CID 110623286
N-[4-[(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)sulfamoyl]phenyl]-2-methylpropanamide
CID 27656182
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1-naphthalen-1-ylmethanesulfonamide
CID 43955982
1-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-fluorophenyl)urea
CID 30374225
2,3,5,6-tetramethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27368931
3-chloro-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methoxybenzenesulfonamide
CID 42448515
1-methylsulfonyl-N-(propan-2-ylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine
CID 110623287
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-methylsulfonylpropanamide
CID 110623308
2-cyclopropyl-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide
CID 110623306

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylsulfamoyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-amine?
The IUPAC name of N-(cyclopentylsulfamoyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-amine (CID 110623316) is N-(cyclopentylsulfamoyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-amine.
What is the SMILES notation for N-(cyclopentylsulfamoyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-amine?
The canonical SMILES for N-(cyclopentylsulfamoyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-amine is CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)NC3CCCC3)ccc21.
What is the InChIKey of N-(cyclopentylsulfamoyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-amine?
The InChIKey is YDPYZOPSGFSCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S2/c1-2-24(20,21)19-11-5-6-13-12-15(9-10-16(13)19)18-25(22,23)17-14-7-3-4-8-14/h9-10,12,14,17-18H,2-8,11H2,1H3.
What are the key properties of N-(cyclopentylsulfamoyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-amine?
N-(cyclopentylsulfamoyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-amine has a molecular weight of 387.53 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylsulfamoyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-amine is sourced from PubChem (CID 110623316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).