N-(2-methylpropylsulfamoyl)-3-[1-(propylamino)ethyl]aniline

C15H27N3O2S — CID 114814956

IUPACN-(2-methylpropylsulfamoyl)-3-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1cccc(NS(=O)(=O)NCC(C)C)c1
InChIInChI=1S/C15H27N3O2S/c1-5-9-16-13(4)14-7-6-8-15(10-14)18-21(19,20)17-11-12(2)3/h6-8,10,12-13,16-18H,5,9,11H2,1-4H3
InChIKeyWHRUIIWQSFTLKY-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.65
Rot. Bonds9

About N-(2-methylpropylsulfamoyl)-3-[1-(propylamino)ethyl]aniline

N-(2-methylpropylsulfamoyl)-3-[1-(propylamino)ethyl]aniline (PubChem CID 114814956) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N-(2-methylpropylsulfamoyl)-3-[1-(propylamino)ethyl]aniline.

Molecular Properties

Compound NameN-(2-methylpropylsulfamoyl)-3-[1-(propylamino)ethyl]aniline
PubChem CID114814956
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-(2-methylpropylsulfamoyl)-3-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1cccc(NS(=O)(=O)NCC(C)C)c1
InChIInChI=1S/C15H27N3O2S/c1-5-9-16-13(4)14-7-6-8-15(10-14)18-21(19,20)17-11-12(2)3/h6-8,10,12-13,16-18H,5,9,11H2,1-4H3
InChIKeyWHRUIIWQSFTLKY-UHFFFAOYSA-N
XLogP2.65
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-(propylamino)ethyl]phenyl]ethanesulfonamide
CID 43508153
3-[1-(methylamino)ethyl]-N-(2-methylpropylsulfamoyl)aniline
CID 114814952
3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine
CID 114814004
3-bromo-N-(2-methylpropylsulfamoyl)aniline
CID 114815403
3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
N-(2-methylpropyl)-4-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506735
3-[1-(propylamino)ethyl]benzenethiol
CID 64666341
N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506750
N-[3-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide
CID 43508144
N-propan-2-yl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506700
1-[1-(2-aminoethylamino)ethyl]-3-(dimethylsulfamoylamino)benzene
CID 66658186
N-methyl-N-(2-methylpropyl)-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43507085

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropylsulfamoyl)-3-[1-(propylamino)ethyl]aniline?
The IUPAC name of N-(2-methylpropylsulfamoyl)-3-[1-(propylamino)ethyl]aniline (CID 114814956) is N-(2-methylpropylsulfamoyl)-3-[1-(propylamino)ethyl]aniline.
What is the SMILES notation for N-(2-methylpropylsulfamoyl)-3-[1-(propylamino)ethyl]aniline?
The canonical SMILES for N-(2-methylpropylsulfamoyl)-3-[1-(propylamino)ethyl]aniline is CCCNC(C)c1cccc(NS(=O)(=O)NCC(C)C)c1.
What is the InChIKey of N-(2-methylpropylsulfamoyl)-3-[1-(propylamino)ethyl]aniline?
The InChIKey is WHRUIIWQSFTLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-5-9-16-13(4)14-7-6-8-15(10-14)18-21(19,20)17-11-12(2)3/h6-8,10,12-13,16-18H,5,9,11H2,1-4H3.
What are the key properties of N-(2-methylpropylsulfamoyl)-3-[1-(propylamino)ethyl]aniline?
N-(2-methylpropylsulfamoyl)-3-[1-(propylamino)ethyl]aniline has a molecular weight of 313.47 g/mol, XLogP of 2.65, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropylsulfamoyl)-3-[1-(propylamino)ethyl]aniline is sourced from PubChem (CID 114814956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).