N-[6-(2-methylsulfanylacetyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide

C11H20N2O3S2 — CID 98896234

IUPACN-[6-(2-methylsulfanylacetyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
SMILESCSCC(=O)N1CCC2(CC(NS(C)(=O)=O)C2)C1
InChIInChI=1S/C11H20N2O3S2/c1-17-7-10(14)13-4-3-11(8-13)5-9(6-11)12-18(2,15)16/h9,12H,3-8H2,1-2H3
InChIKeyDNCXHHBUEVQYSP-UHFFFAOYSA-N
MW292.43 g/mol
LogP0.28
Rot. Bonds4

About N-[6-(2-methylsulfanylacetyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide

N-[6-(2-methylsulfanylacetyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide (PubChem CID 98896234) has the molecular formula C11H20N2O3S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[6-(2-methylsulfanylacetyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(2-methylsulfanylacetyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
PubChem CID98896234
Molecular FormulaC11H20N2O3S2
Molecular Weight292.43 g/mol
Exact Mass292.09
IUPAC NameN-[6-(2-methylsulfanylacetyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
SMILESCSCC(=O)N1CCC2(CC(NS(C)(=O)=O)C2)C1
InChIInChI=1S/C11H20N2O3S2/c1-17-7-10(14)13-4-3-11(8-13)5-9(6-11)12-18(2,15)16/h9,12H,3-8H2,1-2H3
InChIKeyDNCXHHBUEVQYSP-UHFFFAOYSA-N
XLogP0.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[3-(1H-pyrrol-2-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 131686063
N-[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 131686166
N-[6-(2-methyl-1,3-thiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98896232
N-[6-(pyrazine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98894476
N-[6-(5-methylpyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98896233
N-[6-(pyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98897052
N-[7-(cyclopent-3-ene-1-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98897154
N-[7-(2-fluorobenzoyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98897636
N-[6-[2-[methyl(propan-2-yl)amino]acetyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide
CID 131686616
N-[7-(6-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98896529
N-[7-(4-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98897132
1-(3-ethynyl-3-hydroxypyrrolidin-1-yl)-2-methylsulfanylethanone
CID 130636522

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylsulfanylacetyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide?
The IUPAC name of N-[6-(2-methylsulfanylacetyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide (CID 98896234) is N-[6-(2-methylsulfanylacetyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(2-methylsulfanylacetyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide?
The canonical SMILES for N-[6-(2-methylsulfanylacetyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide is CSCC(=O)N1CCC2(CC(NS(C)(=O)=O)C2)C1.
What is the InChIKey of N-[6-(2-methylsulfanylacetyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide?
The InChIKey is DNCXHHBUEVQYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S2/c1-17-7-10(14)13-4-3-11(8-13)5-9(6-11)12-18(2,15)16/h9,12H,3-8H2,1-2H3.
What are the key properties of N-[6-(2-methylsulfanylacetyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide?
N-[6-(2-methylsulfanylacetyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide has a molecular weight of 292.43 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylsulfanylacetyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide is sourced from PubChem (CID 98896234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).