N-methylthiomorpholine-4-carboxamide

C6H12N2OS — CID 12517902

IUPACN-methylthiomorpholine-4-carboxamide
SMILESCNC(=O)N1CCSCC1
InChIInChI=1S/C6H12N2OS/c1-7-6(9)8-2-4-10-5-3-8/h2-5H2,1H3,(H,7,9)
InChIKeyCDBOGIYYJYYRHB-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.37
Rot. Bonds

About N-methylthiomorpholine-4-carboxamide

N-methylthiomorpholine-4-carboxamide (PubChem CID 12517902) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is N-methylthiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-methylthiomorpholine-4-carboxamide
PubChem CID12517902
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC NameN-methylthiomorpholine-4-carboxamide
SMILESCNC(=O)N1CCSCC1
InChIInChI=1S/C6H12N2OS/c1-7-6(9)8-2-4-10-5-3-8/h2-5H2,1H3,(H,7,9)
InChIKeyCDBOGIYYJYYRHB-UHFFFAOYSA-N
XLogP0.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methylthiomorpholine-4-carboxamide?
The IUPAC name of N-methylthiomorpholine-4-carboxamide (CID 12517902) is N-methylthiomorpholine-4-carboxamide.
What is the SMILES notation for N-methylthiomorpholine-4-carboxamide?
The canonical SMILES for N-methylthiomorpholine-4-carboxamide is CNC(=O)N1CCSCC1.
What is the InChIKey of N-methylthiomorpholine-4-carboxamide?
The InChIKey is CDBOGIYYJYYRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS/c1-7-6(9)8-2-4-10-5-3-8/h2-5H2,1H3,(H,7,9).
What are the key properties of N-methylthiomorpholine-4-carboxamide?
N-methylthiomorpholine-4-carboxamide has a molecular weight of 160.24 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylthiomorpholine-4-carboxamide is sourced from PubChem (CID 12517902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).