N-(cyclopentylsulfamoyl)-1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine

C15H23N3O4S2 — CID 110622796

IUPACN-(cyclopentylsulfamoyl)-1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine
SMILESCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)NC3CCCC3)cc21
InChIInChI=1S/C15H23N3O4S2/c1-23(19,20)18-10-4-5-12-8-9-14(11-15(12)18)17-24(21,22)16-13-6-2-3-7-13/h8-9,11,13,16-17H,2-7,10H2,1H3
InChIKeyLLXVOFCDBKUGMO-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.59
Rot. Bonds5

About N-(cyclopentylsulfamoyl)-1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine

N-(cyclopentylsulfamoyl)-1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine (PubChem CID 110622796) has the molecular formula C15H23N3O4S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(cyclopentylsulfamoyl)-1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine.

Molecular Properties

Compound NameN-(cyclopentylsulfamoyl)-1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine
PubChem CID110622796
Molecular FormulaC15H23N3O4S2
Molecular Weight373.50 g/mol
Exact Mass373.11
IUPAC NameN-(cyclopentylsulfamoyl)-1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine
SMILESCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)NC3CCCC3)cc21
InChIInChI=1S/C15H23N3O4S2/c1-23(19,20)18-10-4-5-12-8-9-14(11-15(12)18)17-24(21,22)16-13-6-2-3-7-13/h8-9,11,13,16-17H,2-7,10H2,1H3
InChIKeyLLXVOFCDBKUGMO-UHFFFAOYSA-N
XLogP1.59
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopentylsulfamoyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 110623316
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7517975
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)formamide
CID 168653982
2-cyclopropyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 110622787
4-methoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 7517962
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide
CID 7517976
2-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 7517968
(2S)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)pyrrolidine-2-carboxamide
CID 22689965
1-methylsulfonyl-N-(propan-2-ylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine
CID 110623287
1-chloro-3-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)amino]propan-2-ol
CID 168637976
[6-(cyclopentylsulfamoylamino)-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
CID 110623260
1-methylsulfonyl-N-(propylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine
CID 110623286

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylsulfamoyl)-1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine?
The IUPAC name of N-(cyclopentylsulfamoyl)-1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine (CID 110622796) is N-(cyclopentylsulfamoyl)-1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine.
What is the SMILES notation for N-(cyclopentylsulfamoyl)-1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine?
The canonical SMILES for N-(cyclopentylsulfamoyl)-1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine is CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)NC3CCCC3)cc21.
What is the InChIKey of N-(cyclopentylsulfamoyl)-1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine?
The InChIKey is LLXVOFCDBKUGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S2/c1-23(19,20)18-10-4-5-12-8-9-14(11-15(12)18)17-24(21,22)16-13-6-2-3-7-13/h8-9,11,13,16-17H,2-7,10H2,1H3.
What are the key properties of N-(cyclopentylsulfamoyl)-1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine?
N-(cyclopentylsulfamoyl)-1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine has a molecular weight of 373.50 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylsulfamoyl)-1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine is sourced from PubChem (CID 110622796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).