N-[1-(4-aminoanilino)ethyl]ethanesulfonamide

C10H17N3O2S — CID 151450689

IUPACN-[1-(4-aminoanilino)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)Nc1ccc(N)cc1
InChIInChI=1S/C10H17N3O2S/c1-3-16(14,15)13-8(2)12-10-6-4-9(11)5-7-10/h4-8,12-13H,3,11H2,1-2H3
InChIKeyPGKVICSIUOPZCC-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.97
Rot. Bonds5

About N-[1-(4-aminoanilino)ethyl]ethanesulfonamide

N-[1-(4-aminoanilino)ethyl]ethanesulfonamide (PubChem CID 151450689) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[1-(4-aminoanilino)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-aminoanilino)ethyl]ethanesulfonamide
PubChem CID151450689
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-[1-(4-aminoanilino)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)Nc1ccc(N)cc1
InChIInChI=1S/C10H17N3O2S/c1-3-16(14,15)13-8(2)12-10-6-4-9(11)5-7-10/h4-8,12-13H,3,11H2,1-2H3
InChIKeyPGKVICSIUOPZCC-UHFFFAOYSA-N
XLogP0.97
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-aminophenyl)sulfonylanilino]ethanol
CID 23067525
N-[1-(4-amino-3-propylanilino)ethyl]methanesulfonamide
CID 57005789
2-N-[4-(4-aminophenyl)sulfonylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride
CID 24838174
N-[1-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide
CID 22201177
methyl 2-[4-(ethylsulfonylamino)anilino]propanoate
CID 66171933
4-N-(6-methylheptan-2-yl)benzene-1,4-diamine
CID 61469616
N-(4-aminophenyl)-2-phenylpropane-1-sulfonamide
CID 80685946
ethyl 2-(4-aminoanilino)butanoate
CID 154214416
N-[2-(4-aminophenyl)-2-hydroxyethyl]ethanesulfonamide
CID 43461540
1-[4-(4-aminophenyl)anilino]propan-1-ol
CID 174762894
(4-aminoanilino)methanesulfonic acid
CID 12631177
N-[4-(1-cyclopropylethylamino)phenyl]ethanesulfonamide
CID 54866252

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminoanilino)ethyl]ethanesulfonamide?
The IUPAC name of N-[1-(4-aminoanilino)ethyl]ethanesulfonamide (CID 151450689) is N-[1-(4-aminoanilino)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[1-(4-aminoanilino)ethyl]ethanesulfonamide?
The canonical SMILES for N-[1-(4-aminoanilino)ethyl]ethanesulfonamide is CCS(=O)(=O)NC(C)Nc1ccc(N)cc1.
What is the InChIKey of N-[1-(4-aminoanilino)ethyl]ethanesulfonamide?
The InChIKey is PGKVICSIUOPZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-3-16(14,15)13-8(2)12-10-6-4-9(11)5-7-10/h4-8,12-13H,3,11H2,1-2H3.
What are the key properties of N-[1-(4-aminoanilino)ethyl]ethanesulfonamide?
N-[1-(4-aminoanilino)ethyl]ethanesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminoanilino)ethyl]ethanesulfonamide is sourced from PubChem (CID 151450689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).