ethene;4-thiomorpholin-4-ylaniline

C12H18N2S — CID 156804699

IUPACethene;4-thiomorpholin-4-ylaniline
SMILESC=C.Nc1ccc(N2CCSCC2)cc1
InChIInChI=1S/C10H14N2S.C2H4/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12;1-2/h1-4H,5-8,11H2;1-2H2
InChIKeyXVPZRBDGCATOGM-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.62
Rot. Bonds1

About ethene;4-thiomorpholin-4-ylaniline

ethene;4-thiomorpholin-4-ylaniline (PubChem CID 156804699) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is ethene;4-thiomorpholin-4-ylaniline.

Molecular Properties

Compound Nameethene;4-thiomorpholin-4-ylaniline
PubChem CID156804699
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Nameethene;4-thiomorpholin-4-ylaniline
SMILESC=C.Nc1ccc(N2CCSCC2)cc1
InChIInChI=1S/C10H14N2S.C2H4/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12;1-2/h1-4H,5-8,11H2;1-2H2
InChIKeyXVPZRBDGCATOGM-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;4-thiomorpholin-4-ylaniline?
The IUPAC name of ethene;4-thiomorpholin-4-ylaniline (CID 156804699) is ethene;4-thiomorpholin-4-ylaniline.
What is the SMILES notation for ethene;4-thiomorpholin-4-ylaniline?
The canonical SMILES for ethene;4-thiomorpholin-4-ylaniline is C=C.Nc1ccc(N2CCSCC2)cc1.
What is the InChIKey of ethene;4-thiomorpholin-4-ylaniline?
The InChIKey is XVPZRBDGCATOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S.C2H4/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12;1-2/h1-4H,5-8,11H2;1-2H2.
What are the key properties of ethene;4-thiomorpholin-4-ylaniline?
ethene;4-thiomorpholin-4-ylaniline has a molecular weight of 222.36 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;4-thiomorpholin-4-ylaniline is sourced from PubChem (CID 156804699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).