N-ethylaniline;thiirene 1,1-dioxide

C10H13NO2S — CID 69248918

IUPACN-ethylaniline;thiirene 1,1-dioxide
SMILESCCNc1ccccc1.O=S1(=O)C=C1
InChIInChI=1S/C8H11N.C2H2O2S/c1-2-9-8-6-4-3-5-7-8;3-5(4)1-2-5/h3-7,9H,2H2,1H3;1-2H
InChIKeyLPPKEKFAKLLENN-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.00
Rot. Bonds2

About N-ethylaniline;thiirene 1,1-dioxide

N-ethylaniline;thiirene 1,1-dioxide (PubChem CID 69248918) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is N-ethylaniline;thiirene 1,1-dioxide.

Molecular Properties

Compound NameN-ethylaniline;thiirene 1,1-dioxide
PubChem CID69248918
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC NameN-ethylaniline;thiirene 1,1-dioxide
SMILESCCNc1ccccc1.O=S1(=O)C=C1
InChIInChI=1S/C8H11N.C2H2O2S/c1-2-9-8-6-4-3-5-7-8;3-5(4)1-2-5/h3-7,9H,2H2,1H3;1-2H
InChIKeyLPPKEKFAKLLENN-UHFFFAOYSA-N
XLogP2.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethylaniline;thiirene 1,1-dioxide?
The IUPAC name of N-ethylaniline;thiirene 1,1-dioxide (CID 69248918) is N-ethylaniline;thiirene 1,1-dioxide.
What is the SMILES notation for N-ethylaniline;thiirene 1,1-dioxide?
The canonical SMILES for N-ethylaniline;thiirene 1,1-dioxide is CCNc1ccccc1.O=S1(=O)C=C1.
What is the InChIKey of N-ethylaniline;thiirene 1,1-dioxide?
The InChIKey is LPPKEKFAKLLENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C2H2O2S/c1-2-9-8-6-4-3-5-7-8;3-5(4)1-2-5/h3-7,9H,2H2,1H3;1-2H.
What are the key properties of N-ethylaniline;thiirene 1,1-dioxide?
N-ethylaniline;thiirene 1,1-dioxide has a molecular weight of 211.29 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylaniline;thiirene 1,1-dioxide is sourced from PubChem (CID 69248918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).