2-methyl-N-(1-methylsulfonylpiperidin-4-ylidene)propane-2-sulfinamide

C10H20N2O3S2 — CID 167214282

IUPAC2-methyl-N-(1-methylsulfonylpiperidin-4-ylidene)propane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H20N2O3S2/c1-10(2,3)16(13)11-9-5-7-12(8-6-9)17(4,14)15/h5-8H2,1-4H3
InChIKeyUXKOEUFEXXOYKN-UHFFFAOYSA-N
MW280.41 g/mol
LogP0.94
Rot. Bonds2

About 2-methyl-N-(1-methylsulfonylpiperidin-4-ylidene)propane-2-sulfinamide

2-methyl-N-(1-methylsulfonylpiperidin-4-ylidene)propane-2-sulfinamide (PubChem CID 167214282) has the molecular formula C10H20N2O3S2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-methyl-N-(1-methylsulfonylpiperidin-4-ylidene)propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-(1-methylsulfonylpiperidin-4-ylidene)propane-2-sulfinamide
PubChem CID167214282
Molecular FormulaC10H20N2O3S2
Molecular Weight280.41 g/mol
Exact Mass280.09
IUPAC Name2-methyl-N-(1-methylsulfonylpiperidin-4-ylidene)propane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H20N2O3S2/c1-10(2,3)16(13)11-9-5-7-12(8-6-9)17(4,14)15/h5-8H2,1-4H3
InChIKeyUXKOEUFEXXOYKN-UHFFFAOYSA-N
XLogP0.94
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methylsulfonylpiperidin-4-ylidene)propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-(1-methylsulfonylpiperidin-4-ylidene)propane-2-sulfinamide (CID 167214282) is 2-methyl-N-(1-methylsulfonylpiperidin-4-ylidene)propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-(1-methylsulfonylpiperidin-4-ylidene)propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-(1-methylsulfonylpiperidin-4-ylidene)propane-2-sulfinamide is CC(C)(C)S(=O)N=C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-methyl-N-(1-methylsulfonylpiperidin-4-ylidene)propane-2-sulfinamide?
The InChIKey is UXKOEUFEXXOYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S2/c1-10(2,3)16(13)11-9-5-7-12(8-6-9)17(4,14)15/h5-8H2,1-4H3.
What are the key properties of 2-methyl-N-(1-methylsulfonylpiperidin-4-ylidene)propane-2-sulfinamide?
2-methyl-N-(1-methylsulfonylpiperidin-4-ylidene)propane-2-sulfinamide has a molecular weight of 280.41 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methylsulfonylpiperidin-4-ylidene)propane-2-sulfinamide is sourced from PubChem (CID 167214282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).