trans-(1S,2S)-2-(4-chlorothiophen-2-yl)cyclopropane-1-carboxamide

C8H8ClNOS — CID 170693911

IUPACtrans-(1S,2S)-2-(4-chlorothiophen-2-yl)cyclopropane-1-carboxamide
SMILESNC(=O)[C@H]1C[C@@H]1c1cc(Cl)cs1
InChIInChI=1S/C8H8ClNOS/c9-4-1-7(12-3-4)5-2-6(5)8(10)11/h1,3,5-6H,2H2,(H2,10,11)/t5-,6-/m0/s1
InChIKeyUWQPRTOADVJHKT-WDSKDSINSA-N
MW201.68 g/mol
LogP1.99
Rot. Bonds2

About trans-(1S,2S)-2-(4-chlorothiophen-2-yl)cyclopropane-1-carboxamide

trans-(1S,2S)-2-(4-chlorothiophen-2-yl)cyclopropane-1-carboxamide (PubChem CID 170693911) has the molecular formula C8H8ClNOS and a molecular weight of 201.68 g/mol. Its IUPAC name is trans-(1S,2S)-2-(4-chlorothiophen-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(4-chlorothiophen-2-yl)cyclopropane-1-carboxamide
PubChem CID170693911
Molecular FormulaC8H8ClNOS
Molecular Weight201.68 g/mol
Exact Mass201.00
IUPAC Nametrans-(1S,2S)-2-(4-chlorothiophen-2-yl)cyclopropane-1-carboxamide
SMILESNC(=O)[C@H]1C[C@@H]1c1cc(Cl)cs1
InChIInChI=1S/C8H8ClNOS/c9-4-1-7(12-3-4)5-2-6(5)8(10)11/h1,3,5-6H,2H2,(H2,10,11)/t5-,6-/m0/s1
InChIKeyUWQPRTOADVJHKT-WDSKDSINSA-N
XLogP1.99
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.68
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(4-chlorothiophen-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(4-chlorothiophen-2-yl)cyclopropane-1-carboxamide (CID 170693911) is trans-(1S,2S)-2-(4-chlorothiophen-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(4-chlorothiophen-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(4-chlorothiophen-2-yl)cyclopropane-1-carboxamide is NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cs1.
What is the InChIKey of trans-(1S,2S)-2-(4-chlorothiophen-2-yl)cyclopropane-1-carboxamide?
The InChIKey is UWQPRTOADVJHKT-WDSKDSINSA-N. The full InChI is InChI=1S/C8H8ClNOS/c9-4-1-7(12-3-4)5-2-6(5)8(10)11/h1,3,5-6H,2H2,(H2,10,11)/t5-,6-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(4-chlorothiophen-2-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(4-chlorothiophen-2-yl)cyclopropane-1-carboxamide has a molecular weight of 201.68 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(4-chlorothiophen-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 170693911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).