N-(1,1-dioxothiolan-3-yl)-1-piperidin-2-ylmethanesulfonamide

C10H20N2O4S2 — CID 54973665

IUPACN-(1,1-dioxothiolan-3-yl)-1-piperidin-2-ylmethanesulfonamide
SMILESO=S1(=O)CCC(NS(=O)(=O)CC2CCCCN2)C1
InChIInChI=1S/C10H20N2O4S2/c13-17(14)6-4-10(7-17)12-18(15,16)8-9-3-1-2-5-11-9/h9-12H,1-8H2
InChIKeyQUUOFRUNKISZGR-UHFFFAOYSA-N
MW296.41 g/mol
LogP-0.76
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-1-piperidin-2-ylmethanesulfonamide

N-(1,1-dioxothiolan-3-yl)-1-piperidin-2-ylmethanesulfonamide (PubChem CID 54973665) has the molecular formula C10H20N2O4S2 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-1-piperidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-1-piperidin-2-ylmethanesulfonamide
PubChem CID54973665
Molecular FormulaC10H20N2O4S2
Molecular Weight296.41 g/mol
Exact Mass296.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-1-piperidin-2-ylmethanesulfonamide
SMILESO=S1(=O)CCC(NS(=O)(=O)CC2CCCCN2)C1
InChIInChI=1S/C10H20N2O4S2/c13-17(14)6-4-10(7-17)12-18(15,16)8-9-3-1-2-5-11-9/h9-12H,1-8H2
InChIKeyQUUOFRUNKISZGR-UHFFFAOYSA-N
XLogP-0.76
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylpiperidin-4-yl)-1-piperidin-2-ylmethanesulfonamide
CID 54973820
N-(4-methylcyclohexyl)-1-piperidin-2-ylmethanesulfonamide
CID 54973720
N-(1,1-dioxothiolan-3-yl)-1-piperidin-3-ylmethanesulfonamide
CID 54973935
N-(1,1-dioxothiolan-3-yl)-2-piperidin-2-ylacetamide
CID 43151243
N-(1-methylpiperidin-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972072
1-(azetidin-2-yl)-N-cyclohexylmethanesulfonamide
CID 115071232
N-(3-methylsulfanylcyclopentyl)-1-piperidin-2-ylmethanesulfonamide
CID 114123736
1-piperidin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide
CID 62318142
N-(2,2-dimethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 79878932
N-methyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide
CID 94233927
N-(1-methylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 64688259
1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thiolane-3-sulfonamide
CID 62540052

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-1-piperidin-2-ylmethanesulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-1-piperidin-2-ylmethanesulfonamide (CID 54973665) is N-(1,1-dioxothiolan-3-yl)-1-piperidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-1-piperidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-1-piperidin-2-ylmethanesulfonamide is O=S1(=O)CCC(NS(=O)(=O)CC2CCCCN2)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-1-piperidin-2-ylmethanesulfonamide?
The InChIKey is QUUOFRUNKISZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S2/c13-17(14)6-4-10(7-17)12-18(15,16)8-9-3-1-2-5-11-9/h9-12H,1-8H2.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-1-piperidin-2-ylmethanesulfonamide?
N-(1,1-dioxothiolan-3-yl)-1-piperidin-2-ylmethanesulfonamide has a molecular weight of 296.41 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-1-piperidin-2-ylmethanesulfonamide is sourced from PubChem (CID 54973665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).