3-amino-2,5-diethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide

C15H24N2O2S2 — CID 106425499

IUPAC3-amino-2,5-diethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide
SMILESC=CCSCCNS(=O)(=O)c1cc(CC)cc(N)c1CC
InChIInChI=1S/C15H24N2O2S2/c1-4-8-20-9-7-17-21(18,19)15-11-12(5-2)10-14(16)13(15)6-3/h4,10-11,17H,1,5-9,16H2,2-3H3
InChIKeyPNRCCQRYWDAZKS-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.59
Rot. Bonds9

About 3-amino-2,5-diethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide

3-amino-2,5-diethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide (PubChem CID 106425499) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 3-amino-2,5-diethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,5-diethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide
PubChem CID106425499
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name3-amino-2,5-diethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide
SMILESC=CCSCCNS(=O)(=O)c1cc(CC)cc(N)c1CC
InChIInChI=1S/C15H24N2O2S2/c1-4-8-20-9-7-17-21(18,19)15-11-12(5-2)10-14(16)13(15)6-3/h4,10-11,17H,1,5-9,16H2,2-3H3
InChIKeyPNRCCQRYWDAZKS-UHFFFAOYSA-N
XLogP2.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4,5-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide
CID 106425500
3-amino-N-(3,3-dimethylbutyl)-2,5-diethylbenzenesulfonamide
CID 107407026
3-amino-2,5-diethyl-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 107406932
3-amino-N-(2-cyclopropylethyl)-2,5-diethylbenzenesulfonamide
CID 107406749
3-amino-N-(2-cyclobutylethyl)-2,5-diethylbenzenesulfonamide
CID 107406958
4-amino-2,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide
CID 106425511
3-amino-4-(2-prop-2-enylsulfanylethylsulfamoyl)benzoic acid
CID 106425421
3-amino-2,5-diethyl-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 107406919
2-[(3-amino-2,5-diethylphenyl)sulfonylamino]-N,N-dimethylacetamide
CID 107405776
3-amino-N-(cyclopentylmethyl)-2,5-diethylbenzenesulfonamide
CID 107405777
2,5-dibromo-4-methyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide
CID 114188227
3-amino-2,5-diethyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 107405715

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-diethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide?
The IUPAC name of 3-amino-2,5-diethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide (CID 106425499) is 3-amino-2,5-diethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,5-diethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,5-diethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide is C=CCSCCNS(=O)(=O)c1cc(CC)cc(N)c1CC.
What is the InChIKey of 3-amino-2,5-diethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide?
The InChIKey is PNRCCQRYWDAZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-4-8-20-9-7-17-21(18,19)15-11-12(5-2)10-14(16)13(15)6-3/h4,10-11,17H,1,5-9,16H2,2-3H3.
What are the key properties of 3-amino-2,5-diethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide?
3-amino-2,5-diethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide has a molecular weight of 328.50 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-diethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide is sourced from PubChem (CID 106425499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).