1-(4-propan-2-ylphenyl)-N'-(propan-2-ylsulfamoyl)ethane-1,2-diamine

C14H25N3O2S — CID 120874949

IUPAC1-(4-propan-2-ylphenyl)-N'-(propan-2-ylsulfamoyl)ethane-1,2-diamine
SMILESCC(C)NS(=O)(=O)NCC(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H25N3O2S/c1-10(2)12-5-7-13(8-6-12)14(15)9-16-20(18,19)17-11(3)4/h5-8,10-11,14,16-17H,9,15H2,1-4H3
InChIKeySRAONGFMBJCWNN-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.64
Rot. Bonds7

About 1-(4-propan-2-ylphenyl)-N'-(propan-2-ylsulfamoyl)ethane-1,2-diamine

1-(4-propan-2-ylphenyl)-N'-(propan-2-ylsulfamoyl)ethane-1,2-diamine (PubChem CID 120874949) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-N'-(propan-2-ylsulfamoyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-N'-(propan-2-ylsulfamoyl)ethane-1,2-diamine
PubChem CID120874949
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name1-(4-propan-2-ylphenyl)-N'-(propan-2-ylsulfamoyl)ethane-1,2-diamine
SMILESCC(C)NS(=O)(=O)NCC(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H25N3O2S/c1-10(2)12-5-7-13(8-6-12)14(15)9-16-20(18,19)17-11(3)4/h5-8,10-11,14,16-17H,9,15H2,1-4H3
InChIKeySRAONGFMBJCWNN-UHFFFAOYSA-N
XLogP1.64
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]methanesulfonamide
CID 75431092
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-cyclopropylmethanesulfonamide
CID 119998764
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(methanesulfonamido)propanamide
CID 119526633
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(4-nitrophenyl)methanesulfonamide
CID 119976062
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 119976016
methyl 3-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoylmethyl]benzoate
CID 119976076
1-(4-propan-2-ylphenyl)butane-1,3-diamine
CID 116933197
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-cyanobenzenesulfonamide
CID 119976036
4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride
CID 120709297
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methoxythiophene-2-sulfonamide;hydrochloride
CID 119976009
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide;hydrochloride
CID 119975991
N-[(2R)-2-amino-2-phenylethyl]methanesulfonamide
CID 10656269

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-N'-(propan-2-ylsulfamoyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-propan-2-ylphenyl)-N'-(propan-2-ylsulfamoyl)ethane-1,2-diamine (CID 120874949) is 1-(4-propan-2-ylphenyl)-N'-(propan-2-ylsulfamoyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-N'-(propan-2-ylsulfamoyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-N'-(propan-2-ylsulfamoyl)ethane-1,2-diamine is CC(C)NS(=O)(=O)NCC(N)c1ccc(C(C)C)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-N'-(propan-2-ylsulfamoyl)ethane-1,2-diamine?
The InChIKey is SRAONGFMBJCWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-10(2)12-5-7-13(8-6-12)14(15)9-16-20(18,19)17-11(3)4/h5-8,10-11,14,16-17H,9,15H2,1-4H3.
What are the key properties of 1-(4-propan-2-ylphenyl)-N'-(propan-2-ylsulfamoyl)ethane-1,2-diamine?
1-(4-propan-2-ylphenyl)-N'-(propan-2-ylsulfamoyl)ethane-1,2-diamine has a molecular weight of 299.44 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-N'-(propan-2-ylsulfamoyl)ethane-1,2-diamine is sourced from PubChem (CID 120874949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).