2,3-dimethyl-N-propylthiomorpholine-4-carboxamide

C10H20N2OS — CID 115635226

IUPAC2,3-dimethyl-N-propylthiomorpholine-4-carboxamide
SMILESCCCNC(=O)N1CCSC(C)C1C
InChIInChI=1S/C10H20N2OS/c1-4-5-11-10(13)12-6-7-14-9(3)8(12)2/h8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeyVWFPHJDAJCXGAH-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.93
Rot. Bonds2

About 2,3-dimethyl-N-propylthiomorpholine-4-carboxamide

2,3-dimethyl-N-propylthiomorpholine-4-carboxamide (PubChem CID 115635226) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 2,3-dimethyl-N-propylthiomorpholine-4-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-propylthiomorpholine-4-carboxamide
PubChem CID115635226
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name2,3-dimethyl-N-propylthiomorpholine-4-carboxamide
SMILESCCCNC(=O)N1CCSC(C)C1C
InChIInChI=1S/C10H20N2OS/c1-4-5-11-10(13)12-6-7-14-9(3)8(12)2/h8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeyVWFPHJDAJCXGAH-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-propylthiomorpholine-4-carboxamide?
The IUPAC name of 2,3-dimethyl-N-propylthiomorpholine-4-carboxamide (CID 115635226) is 2,3-dimethyl-N-propylthiomorpholine-4-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-propylthiomorpholine-4-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-propylthiomorpholine-4-carboxamide is CCCNC(=O)N1CCSC(C)C1C.
What is the InChIKey of 2,3-dimethyl-N-propylthiomorpholine-4-carboxamide?
The InChIKey is VWFPHJDAJCXGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-4-5-11-10(13)12-6-7-14-9(3)8(12)2/h8-9H,4-7H2,1-3H3,(H,11,13).
What are the key properties of 2,3-dimethyl-N-propylthiomorpholine-4-carboxamide?
2,3-dimethyl-N-propylthiomorpholine-4-carboxamide has a molecular weight of 216.35 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-propylthiomorpholine-4-carboxamide is sourced from PubChem (CID 115635226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).