4-[1-(ethylamino)ethyl]-N-(3-methylsulfanylpropyl)benzenesulfonamide

C14H24N2O2S2 — CID 63957667

IUPAC4-[1-(ethylamino)ethyl]-N-(3-methylsulfanylpropyl)benzenesulfonamide
SMILESCCNC(C)c1ccc(S(=O)(=O)NCCCSC)cc1
InChIInChI=1S/C14H24N2O2S2/c1-4-15-12(2)13-6-8-14(9-7-13)20(17,18)16-10-5-11-19-3/h6-9,12,15-16H,4-5,10-11H2,1-3H3
InChIKeyMFRMORKDCBTPIU-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.39
Rot. Bonds9

About 4-[1-(ethylamino)ethyl]-N-(3-methylsulfanylpropyl)benzenesulfonamide

4-[1-(ethylamino)ethyl]-N-(3-methylsulfanylpropyl)benzenesulfonamide (PubChem CID 63957667) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 4-[1-(ethylamino)ethyl]-N-(3-methylsulfanylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(ethylamino)ethyl]-N-(3-methylsulfanylpropyl)benzenesulfonamide
PubChem CID63957667
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC Name4-[1-(ethylamino)ethyl]-N-(3-methylsulfanylpropyl)benzenesulfonamide
SMILESCCNC(C)c1ccc(S(=O)(=O)NCCCSC)cc1
InChIInChI=1S/C14H24N2O2S2/c1-4-15-12(2)13-6-8-14(9-7-13)20(17,18)16-10-5-11-19-3/h6-9,12,15-16H,4-5,10-11H2,1-3H3
InChIKeyMFRMORKDCBTPIU-UHFFFAOYSA-N
XLogP2.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.39
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-(ethylamino)ethyl]-N-(4-methylpentyl)benzenesulfonamide
CID 63004765
4-[1-(ethylamino)ethyl]-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63958315
4-(1-aminoethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63959615
3-[1-(methylamino)ethyl]-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63957668
5-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]pentan-1-amine
CID 104926336
N,N-dimethyl-4-[1-(2-methylsulfanylethylamino)ethyl]benzenesulfonamide
CID 63981200
4-[1-(ethylamino)ethyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115986126
N-(2-ethoxyethyl)-4-[1-(propylamino)ethyl]benzenesulfonamide
CID 43591522
N,N-dimethyl-4-[1-(4-methylsulfanylbutylamino)ethyl]benzenesulfonamide
CID 115677168
4-[1-(ethylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106401421
4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 14069626
3-(1-hydroxyethyl)-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63960305

Frequently Asked Questions

What is the IUPAC name of 4-[1-(ethylamino)ethyl]-N-(3-methylsulfanylpropyl)benzenesulfonamide?
The IUPAC name of 4-[1-(ethylamino)ethyl]-N-(3-methylsulfanylpropyl)benzenesulfonamide (CID 63957667) is 4-[1-(ethylamino)ethyl]-N-(3-methylsulfanylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-[1-(ethylamino)ethyl]-N-(3-methylsulfanylpropyl)benzenesulfonamide?
The canonical SMILES for 4-[1-(ethylamino)ethyl]-N-(3-methylsulfanylpropyl)benzenesulfonamide is CCNC(C)c1ccc(S(=O)(=O)NCCCSC)cc1.
What is the InChIKey of 4-[1-(ethylamino)ethyl]-N-(3-methylsulfanylpropyl)benzenesulfonamide?
The InChIKey is MFRMORKDCBTPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-4-15-12(2)13-6-8-14(9-7-13)20(17,18)16-10-5-11-19-3/h6-9,12,15-16H,4-5,10-11H2,1-3H3.
What are the key properties of 4-[1-(ethylamino)ethyl]-N-(3-methylsulfanylpropyl)benzenesulfonamide?
4-[1-(ethylamino)ethyl]-N-(3-methylsulfanylpropyl)benzenesulfonamide has a molecular weight of 316.49 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(ethylamino)ethyl]-N-(3-methylsulfanylpropyl)benzenesulfonamide is sourced from PubChem (CID 63957667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).