N'-(diethylsulfamoyl)-N'-phenylpropane-1,3-diamine

C13H23N3O2S — CID 43135973

IUPACN'-(diethylsulfamoyl)-N'-phenylpropane-1,3-diamine
SMILESCCN(CC)S(=O)(=O)N(CCCN)c1ccccc1
InChIInChI=1S/C13H23N3O2S/c1-3-15(4-2)19(17,18)16(12-8-11-14)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12,14H2,1-2H3
InChIKeyHITSAGYYSLFLFD-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.43
Rot. Bonds8

About N'-(diethylsulfamoyl)-N'-phenylpropane-1,3-diamine

N'-(diethylsulfamoyl)-N'-phenylpropane-1,3-diamine (PubChem CID 43135973) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N'-(diethylsulfamoyl)-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(diethylsulfamoyl)-N'-phenylpropane-1,3-diamine
PubChem CID43135973
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN'-(diethylsulfamoyl)-N'-phenylpropane-1,3-diamine
SMILESCCN(CC)S(=O)(=O)N(CCCN)c1ccccc1
InChIInChI=1S/C13H23N3O2S/c1-3-15(4-2)19(17,18)16(12-8-11-14)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12,14H2,1-2H3
InChIKeyHITSAGYYSLFLFD-UHFFFAOYSA-N
XLogP1.43
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Methylaniline
CID 7515
N-Ethylaniline
CID 7670
N,N-Diethyl-p-phenylenediamine
CID 7120
Fenaminosulf
CID 23668198
N-Isopropylaniline
CID 13032
N,N'-Di-sec-butyl-p-phenylenediamine
CID 7589
Sulfamide, N,N-dimethyl-N'-phenyl-
CID 78441
N-Butylaniline
CID 14310
N,N-Diethyl-p-phenylenediamine hydrochloride
CID 75145
N,N-Diethyl-p-phenylenediamine sulfate
CID 80166
N,N'-Diphenylethylenediamine
CID 67422
3-Anilinopropionitrile
CID 14100

Frequently Asked Questions

What is the IUPAC name of N'-(diethylsulfamoyl)-N'-phenylpropane-1,3-diamine?
The IUPAC name of N'-(diethylsulfamoyl)-N'-phenylpropane-1,3-diamine (CID 43135973) is N'-(diethylsulfamoyl)-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-(diethylsulfamoyl)-N'-phenylpropane-1,3-diamine?
The canonical SMILES for N'-(diethylsulfamoyl)-N'-phenylpropane-1,3-diamine is CCN(CC)S(=O)(=O)N(CCCN)c1ccccc1.
What is the InChIKey of N'-(diethylsulfamoyl)-N'-phenylpropane-1,3-diamine?
The InChIKey is HITSAGYYSLFLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-3-15(4-2)19(17,18)16(12-8-11-14)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12,14H2,1-2H3.
What are the key properties of N'-(diethylsulfamoyl)-N'-phenylpropane-1,3-diamine?
N'-(diethylsulfamoyl)-N'-phenylpropane-1,3-diamine has a molecular weight of 285.41 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(diethylsulfamoyl)-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 43135973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).