2-(5-chlorothiophen-2-yl)-N-methoxyethenamine

C7H8ClNOS — CID 57066071

IUPAC2-(5-chlorothiophen-2-yl)-N-methoxyethenamine
SMILESCONC=Cc1ccc(Cl)s1
InChIInChI=1S/C7H8ClNOS/c1-10-9-5-4-6-2-3-7(8)11-6/h2-5,9H,1H3
InChIKeyXTLIBPPOQIKUSH-UHFFFAOYSA-N
MW189.67 g/mol
LogP2.52
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-N-methoxyethenamine

2-(5-chlorothiophen-2-yl)-N-methoxyethenamine (PubChem CID 57066071) has the molecular formula C7H8ClNOS and a molecular weight of 189.67 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-methoxyethenamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-methoxyethenamine
PubChem CID57066071
Molecular FormulaC7H8ClNOS
Molecular Weight189.67 g/mol
Exact Mass189.00
IUPAC Name2-(5-chlorothiophen-2-yl)-N-methoxyethenamine
SMILESCONC=Cc1ccc(Cl)s1
InChIInChI=1S/C7H8ClNOS/c1-10-9-5-4-6-2-3-7(8)11-6/h2-5,9H,1H3
InChIKeyXTLIBPPOQIKUSH-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.67
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 818880
CID 818880
CID 818881
CID 818881
CID 13839209
CID 13839209
CID 54386150
CID 54386150
CID 57137362
CID 57137362
CID 88934307
CID 88934307
CID 145071544
CID 145071544
CID 1713655
CID 1713655
CID 60702305
CID 60702305
CID 60702641
CID 60702641
CID 63970093
CID 63970093
CID 63970113
CID 63970113

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-methoxyethenamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-methoxyethenamine (CID 57066071) is 2-(5-chlorothiophen-2-yl)-N-methoxyethenamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-methoxyethenamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-methoxyethenamine is CONC=Cc1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-methoxyethenamine?
The InChIKey is XTLIBPPOQIKUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNOS/c1-10-9-5-4-6-2-3-7(8)11-6/h2-5,9H,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-methoxyethenamine?
2-(5-chlorothiophen-2-yl)-N-methoxyethenamine has a molecular weight of 189.67 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-methoxyethenamine is sourced from PubChem (CID 57066071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).