N-(1-benzothiophen-3-yl)thiomorpholine-4-carboxamide

C13H14N2OS2 — CID 2816298

IUPACN-(1-benzothiophen-3-yl)thiomorpholine-4-carboxamide
SMILESO=C(Nc1csc2ccccc12)N1CCSCC1
InChIInChI=1S/C13H14N2OS2/c16-13(15-5-7-17-8-6-15)14-11-9-18-12-4-2-1-3-10(11)12/h1-4,9H,5-8H2,(H,14,16)
InChIKeySXBRMNZCDSWGAL-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.48
Rot. Bonds1

About N-(1-benzothiophen-3-yl)thiomorpholine-4-carboxamide

N-(1-benzothiophen-3-yl)thiomorpholine-4-carboxamide (PubChem CID 2816298) has the molecular formula C13H14N2OS2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(1-benzothiophen-3-yl)thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzothiophen-3-yl)thiomorpholine-4-carboxamide
PubChem CID2816298
Molecular FormulaC13H14N2OS2
Molecular Weight278.40 g/mol
Exact Mass278.05
IUPAC NameN-(1-benzothiophen-3-yl)thiomorpholine-4-carboxamide
SMILESO=C(Nc1csc2ccccc12)N1CCSCC1
InChIInChI=1S/C13H14N2OS2/c16-13(15-5-7-17-8-6-15)14-11-9-18-12-4-2-1-3-10(11)12/h1-4,9H,5-8H2,(H,14,16)
InChIKeySXBRMNZCDSWGAL-UHFFFAOYSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-yl)thiomorpholine-4-carboxamide?
The IUPAC name of N-(1-benzothiophen-3-yl)thiomorpholine-4-carboxamide (CID 2816298) is N-(1-benzothiophen-3-yl)thiomorpholine-4-carboxamide.
What is the SMILES notation for N-(1-benzothiophen-3-yl)thiomorpholine-4-carboxamide?
The canonical SMILES for N-(1-benzothiophen-3-yl)thiomorpholine-4-carboxamide is O=C(Nc1csc2ccccc12)N1CCSCC1.
What is the InChIKey of N-(1-benzothiophen-3-yl)thiomorpholine-4-carboxamide?
The InChIKey is SXBRMNZCDSWGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS2/c16-13(15-5-7-17-8-6-15)14-11-9-18-12-4-2-1-3-10(11)12/h1-4,9H,5-8H2,(H,14,16).
What are the key properties of N-(1-benzothiophen-3-yl)thiomorpholine-4-carboxamide?
N-(1-benzothiophen-3-yl)thiomorpholine-4-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-yl)thiomorpholine-4-carboxamide is sourced from PubChem (CID 2816298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).