2-(1-cyclopropylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide

C11H20N2O5S2 — CID 71809138

IUPAC2-(1-cyclopropylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C11H20N2O5S2/c1-12-11(14)8-19(15,16)9-4-6-13(7-5-9)20(17,18)10-2-3-10/h9-10H,2-8H2,1H3,(H,12,14)
InChIKeyKNUMBLNSPSXBCC-UHFFFAOYSA-N
MW324.42 g/mol
LogP-0.90
Rot. Bonds5

About 2-(1-cyclopropylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide

2-(1-cyclopropylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide (PubChem CID 71809138) has the molecular formula C11H20N2O5S2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(1-cyclopropylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide.

Molecular Properties

Compound Name2-(1-cyclopropylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide
PubChem CID71809138
Molecular FormulaC11H20N2O5S2
Molecular Weight324.42 g/mol
Exact Mass324.08
IUPAC Name2-(1-cyclopropylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C11H20N2O5S2/c1-12-11(14)8-19(15,16)9-4-6-13(7-5-9)20(17,18)10-2-3-10/h9-10H,2-8H2,1H3,(H,12,14)
InChIKeyKNUMBLNSPSXBCC-UHFFFAOYSA-N
XLogP-0.90
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide?
The IUPAC name of 2-(1-cyclopropylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide (CID 71809138) is 2-(1-cyclopropylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide.
What is the SMILES notation for 2-(1-cyclopropylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide?
The canonical SMILES for 2-(1-cyclopropylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide is CNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of 2-(1-cyclopropylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide?
The InChIKey is KNUMBLNSPSXBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S2/c1-12-11(14)8-19(15,16)9-4-6-13(7-5-9)20(17,18)10-2-3-10/h9-10H,2-8H2,1H3,(H,12,14).
What are the key properties of 2-(1-cyclopropylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide?
2-(1-cyclopropylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide has a molecular weight of 324.42 g/mol, XLogP of -0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide is sourced from PubChem (CID 71809138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).