4-[(dimethylamino)methyl]-N-methyl-4-methylsulfanylpiperidine-1-carboxamide;ethane

C13H29N3OS — CID 168983488

IUPAC4-[(dimethylamino)methyl]-N-methyl-4-methylsulfanylpiperidine-1-carboxamide;ethane
SMILESCC.CNC(=O)N1CCC(CN(C)C)(SC)CC1
InChIInChI=1S/C11H23N3OS.C2H6/c1-12-10(15)14-7-5-11(16-4,6-8-14)9-13(2)3;1-2/h5-9H2,1-4H3,(H,12,15);1-2H3
InChIKeyOAXQFFMEZUYSHE-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.11
Rot. Bonds3

About 4-[(dimethylamino)methyl]-N-methyl-4-methylsulfanylpiperidine-1-carboxamide;ethane

4-[(dimethylamino)methyl]-N-methyl-4-methylsulfanylpiperidine-1-carboxamide;ethane (PubChem CID 168983488) has the molecular formula C13H29N3OS and a molecular weight of 275.46 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-methyl-4-methylsulfanylpiperidine-1-carboxamide;ethane.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-methyl-4-methylsulfanylpiperidine-1-carboxamide;ethane
PubChem CID168983488
Molecular FormulaC13H29N3OS
Molecular Weight275.46 g/mol
Exact Mass275.20
IUPAC Name4-[(dimethylamino)methyl]-N-methyl-4-methylsulfanylpiperidine-1-carboxamide;ethane
SMILESCC.CNC(=O)N1CCC(CN(C)C)(SC)CC1
InChIInChI=1S/C11H23N3OS.C2H6/c1-12-10(15)14-7-5-11(16-4,6-8-14)9-13(2)3;1-2/h5-9H2,1-4H3,(H,12,15);1-2H3
InChIKeyOAXQFFMEZUYSHE-UHFFFAOYSA-N
XLogP2.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-methyl-4-methylsulfanylpiperidine-1-carboxamide;ethane?
The IUPAC name of 4-[(dimethylamino)methyl]-N-methyl-4-methylsulfanylpiperidine-1-carboxamide;ethane (CID 168983488) is 4-[(dimethylamino)methyl]-N-methyl-4-methylsulfanylpiperidine-1-carboxamide;ethane.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-methyl-4-methylsulfanylpiperidine-1-carboxamide;ethane?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-methyl-4-methylsulfanylpiperidine-1-carboxamide;ethane is CC.CNC(=O)N1CCC(CN(C)C)(SC)CC1.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-methyl-4-methylsulfanylpiperidine-1-carboxamide;ethane?
The InChIKey is OAXQFFMEZUYSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3OS.C2H6/c1-12-10(15)14-7-5-11(16-4,6-8-14)9-13(2)3;1-2/h5-9H2,1-4H3,(H,12,15);1-2H3.
What are the key properties of 4-[(dimethylamino)methyl]-N-methyl-4-methylsulfanylpiperidine-1-carboxamide;ethane?
4-[(dimethylamino)methyl]-N-methyl-4-methylsulfanylpiperidine-1-carboxamide;ethane has a molecular weight of 275.46 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-methyl-4-methylsulfanylpiperidine-1-carboxamide;ethane is sourced from PubChem (CID 168983488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).