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

C14H24N2O2S — CID 61350112

IUPACN-(2-aminoethyl)-N,4-dipropylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N(CCC)CCN)cc1
InChIInChI=1S/C14H24N2O2S/c1-3-5-13-6-8-14(9-7-13)19(17,18)16(11-4-2)12-10-15/h6-9H,3-5,10-12,15H2,1-2H3
InChIKeyHPEUXJPEHOFKLI-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.00
Rot. Bonds8

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

N-(2-aminoethyl)-N,4-dipropylbenzenesulfonamide (PubChem CID 61350112) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-N,4-dipropylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N,4-dipropylbenzenesulfonamide
PubChem CID61350112
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-(2-aminoethyl)-N,4-dipropylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N(CCC)CCN)cc1
InChIInChI=1S/C14H24N2O2S/c1-3-5-13-6-8-14(9-7-13)19(17,18)16(11-4-2)12-10-15/h6-9H,3-5,10-12,15H2,1-2H3
InChIKeyHPEUXJPEHOFKLI-UHFFFAOYSA-N
XLogP2.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(8-aminooctyl)-N,N-dipropylbenzenesulfonamide
CID 162429714
N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide
CID 61348592
N-(3-aminopropyl)-N-ethyl-4-propylbenzenesulfonamide
CID 61071536
N-(2-aminoethyl)-3,4-dimethyl-N-propylbenzenesulfonamide
CID 55150398
N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide
CID 43136951
N-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895835
N-(2-aminoethyl)-4-(methylsulfonylmethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895305
N-(2-aminoethyl)-4-(methoxymethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895906
4-(dipropylsulfamoyl)benzenesulfonyl chloride
CID 154093021
N-hydroxy-3-[pentyl-(4-propylphenyl)sulfonylamino]propanamide
CID 142683345
N,N-dipropylbenzenesulfonamide
CID 4053954
methyl 3-[ethyl-(4-propylphenyl)sulfonylamino]propanoate
CID 61009529

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N,4-dipropylbenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N,4-dipropylbenzenesulfonamide (CID 61350112) is N-(2-aminoethyl)-N,4-dipropylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N,4-dipropylbenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N,4-dipropylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)N(CCC)CCN)cc1.
What is the InChIKey of N-(2-aminoethyl)-N,4-dipropylbenzenesulfonamide?
The InChIKey is HPEUXJPEHOFKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-3-5-13-6-8-14(9-7-13)19(17,18)16(11-4-2)12-10-15/h6-9H,3-5,10-12,15H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N,4-dipropylbenzenesulfonamide?
N-(2-aminoethyl)-N,4-dipropylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.00, 8 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-dipropylbenzenesulfonamide is sourced from PubChem (CID 61350112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).