2-(ethylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide

C8H20N2O2S2 — CID 63957898

IUPAC2-(ethylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide
SMILESCCNCCS(=O)(=O)NCCCSC
InChIInChI=1S/C8H20N2O2S2/c1-3-9-6-8-14(11,12)10-5-4-7-13-2/h9-10H,3-8H2,1-2H3
InChIKeyMDWYLSVXRQDNQZ-UHFFFAOYSA-N
MW240.39 g/mol
LogP0.27
Rot. Bonds9

About 2-(ethylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide

2-(ethylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide (PubChem CID 63957898) has the molecular formula C8H20N2O2S2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(ethylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide
PubChem CID63957898
Molecular FormulaC8H20N2O2S2
Molecular Weight240.39 g/mol
Exact Mass240.10
IUPAC Name2-(ethylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide
SMILESCCNCCS(=O)(=O)NCCCSC
InChIInChI=1S/C8H20N2O2S2/c1-3-9-6-8-14(11,12)10-5-4-7-13-2/h9-10H,3-8H2,1-2H3
InChIKeyMDWYLSVXRQDNQZ-UHFFFAOYSA-N
XLogP0.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 50.27
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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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide?
The IUPAC name of 2-(ethylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide (CID 63957898) is 2-(ethylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide?
The canonical SMILES for 2-(ethylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide is CCNCCS(=O)(=O)NCCCSC.
What is the InChIKey of 2-(ethylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide?
The InChIKey is MDWYLSVXRQDNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S2/c1-3-9-6-8-14(11,12)10-5-4-7-13-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(ethylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide?
2-(ethylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide has a molecular weight of 240.39 g/mol, XLogP of 0.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide is sourced from PubChem (CID 63957898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).