N-(5-chlorothiophen-2-yl)-3-cyanooxetane-3-carboxamide

C9H7ClN2O2S — CID 115184552

IUPACN-(5-chlorothiophen-2-yl)-3-cyanooxetane-3-carboxamide
SMILESN#CC1(C(=O)Nc2ccc(Cl)s2)COC1
InChIInChI=1S/C9H7ClN2O2S/c10-6-1-2-7(15-6)12-8(13)9(3-11)4-14-5-9/h1-2H,4-5H2,(H,12,13)
InChIKeyNRBGDSOZELCGLX-UHFFFAOYSA-N
MW242.69 g/mol
LogP1.88
Rot. Bonds2

About N-(5-chlorothiophen-2-yl)-3-cyanooxetane-3-carboxamide

N-(5-chlorothiophen-2-yl)-3-cyanooxetane-3-carboxamide (PubChem CID 115184552) has the molecular formula C9H7ClN2O2S and a molecular weight of 242.69 g/mol. Its IUPAC name is N-(5-chlorothiophen-2-yl)-3-cyanooxetane-3-carboxamide.

Molecular Properties

Compound NameN-(5-chlorothiophen-2-yl)-3-cyanooxetane-3-carboxamide
PubChem CID115184552
Molecular FormulaC9H7ClN2O2S
Molecular Weight242.69 g/mol
Exact Mass241.99
IUPAC NameN-(5-chlorothiophen-2-yl)-3-cyanooxetane-3-carboxamide
SMILESN#CC1(C(=O)Nc2ccc(Cl)s2)COC1
InChIInChI=1S/C9H7ClN2O2S/c10-6-1-2-7(15-6)12-8(13)9(3-11)4-14-5-9/h1-2H,4-5H2,(H,12,13)
InChIKeyNRBGDSOZELCGLX-UHFFFAOYSA-N
XLogP1.88
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chlorothiophen-2-yl)-3-cyanooxetane-3-carboxamide?
The IUPAC name of N-(5-chlorothiophen-2-yl)-3-cyanooxetane-3-carboxamide (CID 115184552) is N-(5-chlorothiophen-2-yl)-3-cyanooxetane-3-carboxamide.
What is the SMILES notation for N-(5-chlorothiophen-2-yl)-3-cyanooxetane-3-carboxamide?
The canonical SMILES for N-(5-chlorothiophen-2-yl)-3-cyanooxetane-3-carboxamide is N#CC1(C(=O)Nc2ccc(Cl)s2)COC1.
What is the InChIKey of N-(5-chlorothiophen-2-yl)-3-cyanooxetane-3-carboxamide?
The InChIKey is NRBGDSOZELCGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S/c10-6-1-2-7(15-6)12-8(13)9(3-11)4-14-5-9/h1-2H,4-5H2,(H,12,13).
What are the key properties of N-(5-chlorothiophen-2-yl)-3-cyanooxetane-3-carboxamide?
N-(5-chlorothiophen-2-yl)-3-cyanooxetane-3-carboxamide has a molecular weight of 242.69 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chlorothiophen-2-yl)-3-cyanooxetane-3-carboxamide is sourced from PubChem (CID 115184552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).