N-(2-methylpiperidin-3-yl)-2-methylsulfanylpropanamide

C10H20N2OS — CID 120576561

IUPACN-(2-methylpiperidin-3-yl)-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)NC1CCCNC1C
InChIInChI=1S/C10H20N2OS/c1-7-9(5-4-6-11-7)12-10(13)8(2)14-3/h7-9,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyQGOSLCJRNGOEOS-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.99
Rot. Bonds3

About N-(2-methylpiperidin-3-yl)-2-methylsulfanylpropanamide

N-(2-methylpiperidin-3-yl)-2-methylsulfanylpropanamide (PubChem CID 120576561) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-2-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-2-methylsulfanylpropanamide
PubChem CID120576561
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-(2-methylpiperidin-3-yl)-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)NC1CCCNC1C
InChIInChI=1S/C10H20N2OS/c1-7-9(5-4-6-11-7)12-10(13)8(2)14-3/h7-9,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyQGOSLCJRNGOEOS-UHFFFAOYSA-N
XLogP0.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-2-methylsulfanylpropanamide?
The IUPAC name of N-(2-methylpiperidin-3-yl)-2-methylsulfanylpropanamide (CID 120576561) is N-(2-methylpiperidin-3-yl)-2-methylsulfanylpropanamide.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-2-methylsulfanylpropanamide?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-2-methylsulfanylpropanamide is CSC(C)C(=O)NC1CCCNC1C.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-2-methylsulfanylpropanamide?
The InChIKey is QGOSLCJRNGOEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-7-9(5-4-6-11-7)12-10(13)8(2)14-3/h7-9,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of N-(2-methylpiperidin-3-yl)-2-methylsulfanylpropanamide?
N-(2-methylpiperidin-3-yl)-2-methylsulfanylpropanamide has a molecular weight of 216.35 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-2-methylsulfanylpropanamide is sourced from PubChem (CID 120576561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).