N,N-dimethylthiomorpholine-3-carboxamide

C7H14N2OS — CID 23090249

IUPACN,N-dimethylthiomorpholine-3-carboxamide
SMILESCN(C)C(=O)C1CSCCN1
InChIInChI=1S/C7H14N2OS/c1-9(2)7(10)6-5-11-4-3-8-6/h6,8H,3-5H2,1-2H3
InChIKeyVZBFNFCOQQCFHG-UHFFFAOYSA-N
MW174.27 g/mol
LogP-0.22
Rot. Bonds1

About N,N-dimethylthiomorpholine-3-carboxamide

N,N-dimethylthiomorpholine-3-carboxamide (PubChem CID 23090249) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is N,N-dimethylthiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethylthiomorpholine-3-carboxamide
PubChem CID23090249
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC NameN,N-dimethylthiomorpholine-3-carboxamide
SMILESCN(C)C(=O)C1CSCCN1
InChIInChI=1S/C7H14N2OS/c1-9(2)7(10)6-5-11-4-3-8-6/h6,8H,3-5H2,1-2H3
InChIKeyVZBFNFCOQQCFHG-UHFFFAOYSA-N
XLogP-0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylthiomorpholine-3-carboxamide?
The IUPAC name of N,N-dimethylthiomorpholine-3-carboxamide (CID 23090249) is N,N-dimethylthiomorpholine-3-carboxamide.
What is the SMILES notation for N,N-dimethylthiomorpholine-3-carboxamide?
The canonical SMILES for N,N-dimethylthiomorpholine-3-carboxamide is CN(C)C(=O)C1CSCCN1.
What is the InChIKey of N,N-dimethylthiomorpholine-3-carboxamide?
The InChIKey is VZBFNFCOQQCFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-9(2)7(10)6-5-11-4-3-8-6/h6,8H,3-5H2,1-2H3.
What are the key properties of N,N-dimethylthiomorpholine-3-carboxamide?
N,N-dimethylthiomorpholine-3-carboxamide has a molecular weight of 174.27 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylthiomorpholine-3-carboxamide is sourced from PubChem (CID 23090249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).