2-[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid

C10H19N3O5S2 — CID 115586808

IUPAC2-[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)CSCC(=O)O)CC1
InChIInChI=1S/C10H19N3O5S2/c1-11(2)20(17,18)13-5-3-12(4-6-13)9(14)7-19-8-10(15)16/h3-8H2,1-2H3,(H,15,16)
InChIKeyZAAACJLNUKHMSB-UHFFFAOYSA-N
MW325.41 g/mol
LogP-1.25
Rot. Bonds6

About 2-[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid

2-[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid (PubChem CID 115586808) has the molecular formula C10H19N3O5S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid
PubChem CID115586808
Molecular FormulaC10H19N3O5S2
Molecular Weight325.41 g/mol
Exact Mass325.08
IUPAC Name2-[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)CSCC(=O)O)CC1
InChIInChI=1S/C10H19N3O5S2/c1-11(2)20(17,18)13-5-3-12(4-6-13)9(14)7-19-8-10(15)16/h3-8H2,1-2H3,(H,15,16)
InChIKeyZAAACJLNUKHMSB-UHFFFAOYSA-N
XLogP-1.25
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(dimethylamino)propanoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 110666207
N,N-dimethyl-4-(3-phenylpropanoyl)piperazine-1-sulfonamide
CID 32502208
2-[2-[4-(dimethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetic acid
CID 112684021
N,N-dimethyl-4-(2-naphthalen-2-ylsulfanylacetyl)piperazine-1-sulfonamide
CID 33006308
N,N-dimethyl-4-prop-2-enoylpiperazine-1-sulfonamide
CID 60949795
4-(cyclopropanecarbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 60738795
2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid
CID 115572419
2-[methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]acetic acid
CID 43442487
4-[4-(dimethylsulfamoyl)piperazin-1-yl]sulfonylbutanoic acid
CID 60951985
2-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]sulfanylacetic acid
CID 113427775
4-[2-(2-methoxyphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 32501062
4-[4-(4-bromophenyl)-4-oxobutanoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 33006593

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid (CID 115586808) is 2-[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid is CN(C)S(=O)(=O)N1CCN(C(=O)CSCC(=O)O)CC1.
What is the InChIKey of 2-[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid?
The InChIKey is ZAAACJLNUKHMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5S2/c1-11(2)20(17,18)13-5-3-12(4-6-13)9(14)7-19-8-10(15)16/h3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid?
2-[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid has a molecular weight of 325.41 g/mol, XLogP of -1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 115586808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).