N-(3-ethylsulfonylpropyl)thiophen-3-amine

C9H15NO2S2 — CID 66351269

IUPACN-(3-ethylsulfonylpropyl)thiophen-3-amine
SMILESCCS(=O)(=O)CCCNc1ccsc1
InChIInChI=1S/C9H15NO2S2/c1-2-14(11,12)7-3-5-10-9-4-6-13-8-9/h4,6,8,10H,2-3,5,7H2,1H3
InChIKeyYBZHIBSNFHFFHO-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.98
Rot. Bonds6

About N-(3-ethylsulfonylpropyl)thiophen-3-amine

N-(3-ethylsulfonylpropyl)thiophen-3-amine (PubChem CID 66351269) has the molecular formula C9H15NO2S2 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-(3-ethylsulfonylpropyl)thiophen-3-amine.

Molecular Properties

Compound NameN-(3-ethylsulfonylpropyl)thiophen-3-amine
PubChem CID66351269
Molecular FormulaC9H15NO2S2
Molecular Weight233.36 g/mol
Exact Mass233.05
IUPAC NameN-(3-ethylsulfonylpropyl)thiophen-3-amine
SMILESCCS(=O)(=O)CCCNc1ccsc1
InChIInChI=1S/C9H15NO2S2/c1-2-14(11,12)7-3-5-10-9-4-6-13-8-9/h4,6,8,10H,2-3,5,7H2,1H3
InChIKeyYBZHIBSNFHFFHO-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
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 N-(3-ethylsulfonylpropyl)thiophen-3-amine?
The IUPAC name of N-(3-ethylsulfonylpropyl)thiophen-3-amine (CID 66351269) is N-(3-ethylsulfonylpropyl)thiophen-3-amine.
What is the SMILES notation for N-(3-ethylsulfonylpropyl)thiophen-3-amine?
The canonical SMILES for N-(3-ethylsulfonylpropyl)thiophen-3-amine is CCS(=O)(=O)CCCNc1ccsc1.
What is the InChIKey of N-(3-ethylsulfonylpropyl)thiophen-3-amine?
The InChIKey is YBZHIBSNFHFFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S2/c1-2-14(11,12)7-3-5-10-9-4-6-13-8-9/h4,6,8,10H,2-3,5,7H2,1H3.
What are the key properties of N-(3-ethylsulfonylpropyl)thiophen-3-amine?
N-(3-ethylsulfonylpropyl)thiophen-3-amine has a molecular weight of 233.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfonylpropyl)thiophen-3-amine is sourced from PubChem (CID 66351269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).