N,2,6-trimethylthiomorpholine-4-carboxamide

C8H16N2OS — CID 115660979

IUPACN,2,6-trimethylthiomorpholine-4-carboxamide
SMILESCNC(=O)N1CC(C)SC(C)C1
InChIInChI=1S/C8H16N2OS/c1-6-4-10(8(11)9-3)5-7(2)12-6/h6-7H,4-5H2,1-3H3,(H,9,11)
InChIKeyKLYBGYZRVCKJBI-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.15
Rot. Bonds

About N,2,6-trimethylthiomorpholine-4-carboxamide

N,2,6-trimethylthiomorpholine-4-carboxamide (PubChem CID 115660979) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is N,2,6-trimethylthiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN,2,6-trimethylthiomorpholine-4-carboxamide
PubChem CID115660979
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC NameN,2,6-trimethylthiomorpholine-4-carboxamide
SMILESCNC(=O)N1CC(C)SC(C)C1
InChIInChI=1S/C8H16N2OS/c1-6-4-10(8(11)9-3)5-7(2)12-6/h6-7H,4-5H2,1-3H3,(H,9,11)
InChIKeyKLYBGYZRVCKJBI-UHFFFAOYSA-N
XLogP1.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2,6-trimethylthiomorpholine-4-carboxamide?
The IUPAC name of N,2,6-trimethylthiomorpholine-4-carboxamide (CID 115660979) is N,2,6-trimethylthiomorpholine-4-carboxamide.
What is the SMILES notation for N,2,6-trimethylthiomorpholine-4-carboxamide?
The canonical SMILES for N,2,6-trimethylthiomorpholine-4-carboxamide is CNC(=O)N1CC(C)SC(C)C1.
What is the InChIKey of N,2,6-trimethylthiomorpholine-4-carboxamide?
The InChIKey is KLYBGYZRVCKJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-6-4-10(8(11)9-3)5-7(2)12-6/h6-7H,4-5H2,1-3H3,(H,9,11).
What are the key properties of N,2,6-trimethylthiomorpholine-4-carboxamide?
N,2,6-trimethylthiomorpholine-4-carboxamide has a molecular weight of 188.30 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethylthiomorpholine-4-carboxamide is sourced from PubChem (CID 115660979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).