N-methylspiro[5,7-dihydro-4H-1-benzothiophene-6,2'-pyrrolidine]-3-carboxamide

C13H18N2OS — CID 118270346

IUPACN-methylspiro[5,7-dihydro-4H-1-benzothiophene-6,2'-pyrrolidine]-3-carboxamide
SMILESCNC(=O)c1csc2c1CCC1(CCCN1)C2
InChIInChI=1S/C13H18N2OS/c1-14-12(16)10-8-17-11-7-13(4-2-6-15-13)5-3-9(10)11/h8,15H,2-7H2,1H3,(H,14,16)
InChIKeyKNZNYLSKRPTFMC-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.72
Rot. Bonds1

About N-methylspiro[5,7-dihydro-4H-1-benzothiophene-6,2'-pyrrolidine]-3-carboxamide

N-methylspiro[5,7-dihydro-4H-1-benzothiophene-6,2'-pyrrolidine]-3-carboxamide (PubChem CID 118270346) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-methylspiro[5,7-dihydro-4H-1-benzothiophene-6,2'-pyrrolidine]-3-carboxamide.

Molecular Properties

Compound NameN-methylspiro[5,7-dihydro-4H-1-benzothiophene-6,2'-pyrrolidine]-3-carboxamide
PubChem CID118270346
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-methylspiro[5,7-dihydro-4H-1-benzothiophene-6,2'-pyrrolidine]-3-carboxamide
SMILESCNC(=O)c1csc2c1CCC1(CCCN1)C2
InChIInChI=1S/C13H18N2OS/c1-14-12(16)10-8-17-11-7-13(4-2-6-15-13)5-3-9(10)11/h8,15H,2-7H2,1H3,(H,14,16)
InChIKeyKNZNYLSKRPTFMC-UHFFFAOYSA-N
XLogP1.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methylspiro[5,7-dihydro-4H-1-benzothiophene-6,2'-pyrrolidine]-3-carboxamide?
The IUPAC name of N-methylspiro[5,7-dihydro-4H-1-benzothiophene-6,2'-pyrrolidine]-3-carboxamide (CID 118270346) is N-methylspiro[5,7-dihydro-4H-1-benzothiophene-6,2'-pyrrolidine]-3-carboxamide.
What is the SMILES notation for N-methylspiro[5,7-dihydro-4H-1-benzothiophene-6,2'-pyrrolidine]-3-carboxamide?
The canonical SMILES for N-methylspiro[5,7-dihydro-4H-1-benzothiophene-6,2'-pyrrolidine]-3-carboxamide is CNC(=O)c1csc2c1CCC1(CCCN1)C2.
What is the InChIKey of N-methylspiro[5,7-dihydro-4H-1-benzothiophene-6,2'-pyrrolidine]-3-carboxamide?
The InChIKey is KNZNYLSKRPTFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-14-12(16)10-8-17-11-7-13(4-2-6-15-13)5-3-9(10)11/h8,15H,2-7H2,1H3,(H,14,16).
What are the key properties of N-methylspiro[5,7-dihydro-4H-1-benzothiophene-6,2'-pyrrolidine]-3-carboxamide?
N-methylspiro[5,7-dihydro-4H-1-benzothiophene-6,2'-pyrrolidine]-3-carboxamide has a molecular weight of 250.37 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylspiro[5,7-dihydro-4H-1-benzothiophene-6,2'-pyrrolidine]-3-carboxamide is sourced from PubChem (CID 118270346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).