N-(cyclopentylsulfamoyl)-4-(1,1-dioxothiazinan-2-yl)aniline

C15H23N3O4S2 — CID 110622880

IUPACN-(cyclopentylsulfamoyl)-4-(1,1-dioxothiazinan-2-yl)aniline
SMILESO=S(=O)(Nc1ccc(N2CCCCS2(=O)=O)cc1)NC1CCCC1
InChIInChI=1S/C15H23N3O4S2/c19-23(20)12-4-3-11-18(23)15-9-7-14(8-10-15)17-24(21,22)16-13-5-1-2-6-13/h7-10,13,16-17H,1-6,11-12H2
InChIKeyKMSBZHPJQSSGSK-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.81
Rot. Bonds5

About N-(cyclopentylsulfamoyl)-4-(1,1-dioxothiazinan-2-yl)aniline

N-(cyclopentylsulfamoyl)-4-(1,1-dioxothiazinan-2-yl)aniline (PubChem CID 110622880) has the molecular formula C15H23N3O4S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(cyclopentylsulfamoyl)-4-(1,1-dioxothiazinan-2-yl)aniline.

Molecular Properties

Compound NameN-(cyclopentylsulfamoyl)-4-(1,1-dioxothiazinan-2-yl)aniline
PubChem CID110622880
Molecular FormulaC15H23N3O4S2
Molecular Weight373.50 g/mol
Exact Mass373.11
IUPAC NameN-(cyclopentylsulfamoyl)-4-(1,1-dioxothiazinan-2-yl)aniline
SMILESO=S(=O)(Nc1ccc(N2CCCCS2(=O)=O)cc1)NC1CCCC1
InChIInChI=1S/C15H23N3O4S2/c19-23(20)12-4-3-11-18(23)15-9-7-14(8-10-15)17-24(21,22)16-13-5-1-2-6-13/h7-10,13,16-17H,1-6,11-12H2
InChIKeyKMSBZHPJQSSGSK-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]methanesulfonamide
CID 7584636
4-(1,1-dioxothiazinan-2-yl)-N-phenylbenzenesulfonamide
CID 7517150
4-cyclohexyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide
CID 25420949
4-(1,1-dioxothiazinan-2-yl)-N-(4-ethylphenyl)benzenesulfonamide
CID 7517145
4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]cyclohexane-1-carboxamide
CID 20629923
N-cyclopentyl-N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]oxamide
CID 7627719
4-(1,1-dioxothiazinan-2-yl)-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 7517162
3-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]benzenesulfonamide
CID 7584632
4-(1,1-dioxothiazinan-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 7517163
N-cyclohexyl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide
CID 39776404
4-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzenesulfonamide
CID 20962759
N-(cyclopentylsulfamoyl)-4-(3-pyrrolidin-1-ylpropyl)aniline
CID 110633806

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylsulfamoyl)-4-(1,1-dioxothiazinan-2-yl)aniline?
The IUPAC name of N-(cyclopentylsulfamoyl)-4-(1,1-dioxothiazinan-2-yl)aniline (CID 110622880) is N-(cyclopentylsulfamoyl)-4-(1,1-dioxothiazinan-2-yl)aniline.
What is the SMILES notation for N-(cyclopentylsulfamoyl)-4-(1,1-dioxothiazinan-2-yl)aniline?
The canonical SMILES for N-(cyclopentylsulfamoyl)-4-(1,1-dioxothiazinan-2-yl)aniline is O=S(=O)(Nc1ccc(N2CCCCS2(=O)=O)cc1)NC1CCCC1.
What is the InChIKey of N-(cyclopentylsulfamoyl)-4-(1,1-dioxothiazinan-2-yl)aniline?
The InChIKey is KMSBZHPJQSSGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S2/c19-23(20)12-4-3-11-18(23)15-9-7-14(8-10-15)17-24(21,22)16-13-5-1-2-6-13/h7-10,13,16-17H,1-6,11-12H2.
What are the key properties of N-(cyclopentylsulfamoyl)-4-(1,1-dioxothiazinan-2-yl)aniline?
N-(cyclopentylsulfamoyl)-4-(1,1-dioxothiazinan-2-yl)aniline has a molecular weight of 373.50 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylsulfamoyl)-4-(1,1-dioxothiazinan-2-yl)aniline is sourced from PubChem (CID 110622880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).