2,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboxamide

C14H27N3OS — CID 71859649

IUPAC2,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboxamide
SMILESCN1CCCC(CNC(=O)N2CCSC(C)(C)C2)C1
InChIInChI=1S/C14H27N3OS/c1-14(2)11-17(7-8-19-14)13(18)15-9-12-5-4-6-16(3)10-12/h12H,4-11H2,1-3H3,(H,15,18)
InChIKeyBZUVBSKWFOCHOI-UHFFFAOYSA-N
MW285.46 g/mol
LogP1.87
Rot. Bonds2

About 2,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboxamide

2,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboxamide (PubChem CID 71859649) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboxamide
PubChem CID71859649
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC Name2,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboxamide
SMILESCN1CCCC(CNC(=O)N2CCSC(C)(C)C2)C1
InChIInChI=1S/C14H27N3OS/c1-14(2)11-17(7-8-19-14)13(18)15-9-12-5-4-6-16(3)10-12/h12H,4-11H2,1-3H3,(H,15,18)
InChIKeyBZUVBSKWFOCHOI-UHFFFAOYSA-N
XLogP1.87
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboxamide (CID 71859649) is 2,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboxamide is CN1CCCC(CNC(=O)N2CCSC(C)(C)C2)C1.
What is the InChIKey of 2,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboxamide?
The InChIKey is BZUVBSKWFOCHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-14(2)11-17(7-8-19-14)13(18)15-9-12-5-4-6-16(3)10-12/h12H,4-11H2,1-3H3,(H,15,18).
What are the key properties of 2,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboxamide?
2,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboxamide has a molecular weight of 285.46 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 71859649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).