N-ethyl-N-methylthiomorpholine-4-carboxamide

C8H16N2OS — CID 58831853

IUPACN-ethyl-N-methylthiomorpholine-4-carboxamide
SMILESCCN(C)C(=O)N1CCSCC1
InChIInChI=1S/C8H16N2OS/c1-3-9(2)8(11)10-4-6-12-7-5-10/h3-7H2,1-2H3
InChIKeySFDZBKJSSASVIN-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.11
Rot. Bonds1

About N-ethyl-N-methylthiomorpholine-4-carboxamide

N-ethyl-N-methylthiomorpholine-4-carboxamide (PubChem CID 58831853) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is N-ethyl-N-methylthiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methylthiomorpholine-4-carboxamide
PubChem CID58831853
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC NameN-ethyl-N-methylthiomorpholine-4-carboxamide
SMILESCCN(C)C(=O)N1CCSCC1
InChIInChI=1S/C8H16N2OS/c1-3-9(2)8(11)10-4-6-12-7-5-10/h3-7H2,1-2H3
InChIKeySFDZBKJSSASVIN-UHFFFAOYSA-N
XLogP1.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methylthiomorpholine-4-carboxamide?
The IUPAC name of N-ethyl-N-methylthiomorpholine-4-carboxamide (CID 58831853) is N-ethyl-N-methylthiomorpholine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-methylthiomorpholine-4-carboxamide?
The canonical SMILES for N-ethyl-N-methylthiomorpholine-4-carboxamide is CCN(C)C(=O)N1CCSCC1.
What is the InChIKey of N-ethyl-N-methylthiomorpholine-4-carboxamide?
The InChIKey is SFDZBKJSSASVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-3-9(2)8(11)10-4-6-12-7-5-10/h3-7H2,1-2H3.
What are the key properties of N-ethyl-N-methylthiomorpholine-4-carboxamide?
N-ethyl-N-methylthiomorpholine-4-carboxamide has a molecular weight of 188.30 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylthiomorpholine-4-carboxamide is sourced from PubChem (CID 58831853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).