(1-methylsulfonylpiperidin-4-yl)methanesulfinamide

C7H16N2O3S2 — CID 165452712

IUPAC(1-methylsulfonylpiperidin-4-yl)methanesulfinamide
SMILESCS(=O)(=O)N1CCC(CS(N)=O)CC1
InChIInChI=1S/C7H16N2O3S2/c1-14(11,12)9-4-2-7(3-5-9)6-13(8)10/h7H,2-6,8H2,1H3
InChIKeyVVNBAMTVBIJMIX-UHFFFAOYSA-N
MW240.35 g/mol
LogP-0.72
Rot. Bonds3

About (1-methylsulfonylpiperidin-4-yl)methanesulfinamide

(1-methylsulfonylpiperidin-4-yl)methanesulfinamide (PubChem CID 165452712) has the molecular formula C7H16N2O3S2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (1-methylsulfonylpiperidin-4-yl)methanesulfinamide.

Molecular Properties

Compound Name(1-methylsulfonylpiperidin-4-yl)methanesulfinamide
PubChem CID165452712
Molecular FormulaC7H16N2O3S2
Molecular Weight240.35 g/mol
Exact Mass240.06
IUPAC Name(1-methylsulfonylpiperidin-4-yl)methanesulfinamide
SMILESCS(=O)(=O)N1CCC(CS(N)=O)CC1
InChIInChI=1S/C7H16N2O3S2/c1-14(11,12)9-4-2-7(3-5-9)6-13(8)10/h7H,2-6,8H2,1H3
InChIKeyVVNBAMTVBIJMIX-UHFFFAOYSA-N
XLogP-0.72
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpiperidin-4-yl)methanesulfinamide?
The IUPAC name of (1-methylsulfonylpiperidin-4-yl)methanesulfinamide (CID 165452712) is (1-methylsulfonylpiperidin-4-yl)methanesulfinamide.
What is the SMILES notation for (1-methylsulfonylpiperidin-4-yl)methanesulfinamide?
The canonical SMILES for (1-methylsulfonylpiperidin-4-yl)methanesulfinamide is CS(=O)(=O)N1CCC(CS(N)=O)CC1.
What is the InChIKey of (1-methylsulfonylpiperidin-4-yl)methanesulfinamide?
The InChIKey is VVNBAMTVBIJMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S2/c1-14(11,12)9-4-2-7(3-5-9)6-13(8)10/h7H,2-6,8H2,1H3.
What are the key properties of (1-methylsulfonylpiperidin-4-yl)methanesulfinamide?
(1-methylsulfonylpiperidin-4-yl)methanesulfinamide has a molecular weight of 240.35 g/mol, XLogP of -0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylpiperidin-4-yl)methanesulfinamide is sourced from PubChem (CID 165452712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).