4-(1-aminoethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide

C11H18N2O2S2 — CID 63959615

IUPAC4-(1-aminoethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCSCCNS(=O)(=O)c1ccc(C(C)N)cc1
InChIInChI=1S/C11H18N2O2S2/c1-9(12)10-3-5-11(6-4-10)17(14,15)13-7-8-16-2/h3-6,9,13H,7-8,12H2,1-2H3
InChIKeyONMQLVNUCCDYPI-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.35
Rot. Bonds6

About 4-(1-aminoethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide

4-(1-aminoethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide (PubChem CID 63959615) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide
PubChem CID63959615
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name4-(1-aminoethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCSCCNS(=O)(=O)c1ccc(C(C)N)cc1
InChIInChI=1S/C11H18N2O2S2/c1-9(12)10-3-5-11(6-4-10)17(14,15)13-7-8-16-2/h3-6,9,13H,7-8,12H2,1-2H3
InChIKeyONMQLVNUCCDYPI-UHFFFAOYSA-N
XLogP1.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1-aminoethyl)-N-pentylbenzenesulfonamide
CID 43095770
4-(1-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546293
4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 14069626
4-[1-(ethylamino)ethyl]-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63957667
methyl 3-[[4-(1-aminoethyl)phenyl]sulfonylamino]propanoate
CID 61295392
6-amino-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 63963985
4-(1-aminoethyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 43097507
4-(1-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106401433
4-(1-aminoethyl)-N-(cyclobutylmethyl)benzenesulfonamide
CID 43298854
3-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63983724
N-(2-methylsulfanylethyl)-4-[2-(propylamino)ethyl]benzenesulfonamide
CID 106063705
4-[3-(methylamino)propoxy]-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 106063766

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide?
The IUPAC name of 4-(1-aminoethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide (CID 63959615) is 4-(1-aminoethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide?
The canonical SMILES for 4-(1-aminoethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide is CSCCNS(=O)(=O)c1ccc(C(C)N)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide?
The InChIKey is ONMQLVNUCCDYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-9(12)10-3-5-11(6-4-10)17(14,15)13-7-8-16-2/h3-6,9,13H,7-8,12H2,1-2H3.
What are the key properties of 4-(1-aminoethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide?
4-(1-aminoethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide has a molecular weight of 274.41 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide is sourced from PubChem (CID 63959615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).