N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide

C10H16N2O2S — CID 10376490

IUPACN-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CCN)cc1
InChIInChI=1S/C10H16N2O2S/c1-9-3-5-10(6-4-9)15(13,14)12(2)8-7-11/h3-6H,7-8,11H2,1-2H3
InChIKeyXDWUMJPNQXCPIE-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.57
Rot. Bonds4

About N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide

N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide (PubChem CID 10376490) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide
PubChem CID10376490
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CCN)cc1
InChIInChI=1S/C10H16N2O2S/c1-9-3-5-10(6-4-9)15(13,14)12(2)8-7-11/h3-6H,7-8,11H2,1-2H3
InChIKeyXDWUMJPNQXCPIE-UHFFFAOYSA-N
XLogP0.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-N-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 11767132
N-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide
CID 28707580
N-(3-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 11287998
N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide
CID 61348592
N-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119991959
N-(2-aminoethyl)-N-methyl-4-(trifluoromethoxy)benzenesulfonamide
CID 55103943
N-(2-aminoethyl)-4-methyl-N-pentan-3-ylbenzenesulfonamide
CID 63764894
4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 26057393
N-(2-aminoethyl)-3-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 62685889
N-methyl-1-[methyl-(4-methylphenyl)sulfonylamino]methanamine oxide
CID 163689251
N-(2-aminoethyl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 61348924
N-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide
CID 63765049

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide (CID 10376490) is N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)CCN)cc1.
What is the InChIKey of N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is XDWUMJPNQXCPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-9-3-5-10(6-4-9)15(13,14)12(2)8-7-11/h3-6H,7-8,11H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide?
N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 228.32 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 10376490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).