N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylacetamide

C15H22N2O3S2 — CID 17403392

IUPACN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C
InChIInChI=1S/C15H22N2O3S2/c1-12-6-7-13(10-14(12)16-15(18)11-21-2)22(19,20)17-8-4-3-5-9-17/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,16,18)
InChIKeyNFSNDRAAEZRYNC-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.47
Rot. Bonds5

About N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylacetamide

N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylacetamide (PubChem CID 17403392) has the molecular formula C15H22N2O3S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylacetamide
PubChem CID17403392
Molecular FormulaC15H22N2O3S2
Molecular Weight342.49 g/mol
Exact Mass342.11
IUPAC NameN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C
InChIInChI=1S/C15H22N2O3S2/c1-12-6-7-13(10-14(12)16-15(18)11-21-2)22(19,20)17-8-4-3-5-9-17/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,16,18)
InChIKeyNFSNDRAAEZRYNC-UHFFFAOYSA-N
XLogP2.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylacetamide?
The IUPAC name of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylacetamide (CID 17403392) is N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylacetamide is CSCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C.
What is the InChIKey of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylacetamide?
The InChIKey is NFSNDRAAEZRYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S2/c1-12-6-7-13(10-14(12)16-15(18)11-21-2)22(19,20)17-8-4-3-5-9-17/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,16,18).
What are the key properties of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylacetamide?
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylacetamide has a molecular weight of 342.49 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 17403392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).