N-(4-methylpiperidin-4-yl)-2-methylsulfonylpropanamide

C10H20N2O3S — CID 114696256

IUPACN-(4-methylpiperidin-4-yl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)NC1(C)CCNCC1)S(C)(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-8(16(3,14)15)9(13)12-10(2)4-6-11-7-5-10/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyXSIWIICHLUYLND-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.32
Rot. Bonds3

About N-(4-methylpiperidin-4-yl)-2-methylsulfonylpropanamide

N-(4-methylpiperidin-4-yl)-2-methylsulfonylpropanamide (PubChem CID 114696256) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(4-methylpiperidin-4-yl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(4-methylpiperidin-4-yl)-2-methylsulfonylpropanamide
PubChem CID114696256
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-(4-methylpiperidin-4-yl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)NC1(C)CCNCC1)S(C)(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-8(16(3,14)15)9(13)12-10(2)4-6-11-7-5-10/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyXSIWIICHLUYLND-UHFFFAOYSA-N
XLogP-0.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperidin-4-yl)-2-methylsulfonylpropanamide?
The IUPAC name of N-(4-methylpiperidin-4-yl)-2-methylsulfonylpropanamide (CID 114696256) is N-(4-methylpiperidin-4-yl)-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(4-methylpiperidin-4-yl)-2-methylsulfonylpropanamide?
The canonical SMILES for N-(4-methylpiperidin-4-yl)-2-methylsulfonylpropanamide is CC(C(=O)NC1(C)CCNCC1)S(C)(=O)=O.
What is the InChIKey of N-(4-methylpiperidin-4-yl)-2-methylsulfonylpropanamide?
The InChIKey is XSIWIICHLUYLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-8(16(3,14)15)9(13)12-10(2)4-6-11-7-5-10/h8,11H,4-7H2,1-3H3,(H,12,13).
What are the key properties of N-(4-methylpiperidin-4-yl)-2-methylsulfonylpropanamide?
N-(4-methylpiperidin-4-yl)-2-methylsulfonylpropanamide has a molecular weight of 248.35 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperidin-4-yl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 114696256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).