N-(2,4-diaminophenyl)-N-[2-(dimethylamino)ethyl]methanesulfonamide

C11H20N4O2S — CID 23506818

IUPACN-(2,4-diaminophenyl)-N-[2-(dimethylamino)ethyl]methanesulfonamide
SMILESCN(C)CCN(c1ccc(N)cc1N)S(C)(=O)=O
InChIInChI=1S/C11H20N4O2S/c1-14(2)6-7-15(18(3,16)17)11-5-4-9(12)8-10(11)13/h4-5,8H,6-7,12-13H2,1-3H3
InChIKeyOQUJAJUNNIYHAW-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.18
Rot. Bonds5

About N-(2,4-diaminophenyl)-N-[2-(dimethylamino)ethyl]methanesulfonamide

N-(2,4-diaminophenyl)-N-[2-(dimethylamino)ethyl]methanesulfonamide (PubChem CID 23506818) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(2,4-diaminophenyl)-N-[2-(dimethylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2,4-diaminophenyl)-N-[2-(dimethylamino)ethyl]methanesulfonamide
PubChem CID23506818
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-(2,4-diaminophenyl)-N-[2-(dimethylamino)ethyl]methanesulfonamide
SMILESCN(C)CCN(c1ccc(N)cc1N)S(C)(=O)=O
InChIInChI=1S/C11H20N4O2S/c1-14(2)6-7-15(18(3,16)17)11-5-4-9(12)8-10(11)13/h4-5,8H,6-7,12-13H2,1-3H3
InChIKeyOQUJAJUNNIYHAW-UHFFFAOYSA-N
XLogP0.18
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-nitrophenyl)-N-[2-(dimethylamino)ethyl]methanesulfonamide
CID 23506828
4-chloro-1-N-[2-(dimethylamino)ethyl]-1-N-methylbenzene-1,2-diamine
CID 63695139
2-bromo-1-N-methyl-1-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 79850896
1-N-[2-(dimethylamino)ethyl]-4-ethyl-1-N-methylbenzene-1,2-diamine
CID 130203521
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]-5-aminophenyl]acetamide
CID 166477495
5-amino-2-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 65207033
1-N-methyl-1-N-(3-methylbut-2-enyl)benzene-1,2,4-triamine
CID 18335966
4-iodo-1-N-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine
CID 79849719
4-methylsulfonylbenzene-1,3-diamine
CID 67023137
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)methanesulfonamide
CID 42815568
5-amino-2-[methyl(2-methylsulfonylethyl)amino]benzoic acid
CID 63116676
N-[2-(dimethylamino)ethyl]-N-(4-nitrophenyl)methanesulfonamide
CID 22668565

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diaminophenyl)-N-[2-(dimethylamino)ethyl]methanesulfonamide?
The IUPAC name of N-(2,4-diaminophenyl)-N-[2-(dimethylamino)ethyl]methanesulfonamide (CID 23506818) is N-(2,4-diaminophenyl)-N-[2-(dimethylamino)ethyl]methanesulfonamide.
What is the SMILES notation for N-(2,4-diaminophenyl)-N-[2-(dimethylamino)ethyl]methanesulfonamide?
The canonical SMILES for N-(2,4-diaminophenyl)-N-[2-(dimethylamino)ethyl]methanesulfonamide is CN(C)CCN(c1ccc(N)cc1N)S(C)(=O)=O.
What is the InChIKey of N-(2,4-diaminophenyl)-N-[2-(dimethylamino)ethyl]methanesulfonamide?
The InChIKey is OQUJAJUNNIYHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-14(2)6-7-15(18(3,16)17)11-5-4-9(12)8-10(11)13/h4-5,8H,6-7,12-13H2,1-3H3.
What are the key properties of N-(2,4-diaminophenyl)-N-[2-(dimethylamino)ethyl]methanesulfonamide?
N-(2,4-diaminophenyl)-N-[2-(dimethylamino)ethyl]methanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diaminophenyl)-N-[2-(dimethylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 23506818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).