2,3-dimethyl-1-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]piperazine

C14H20N2O4S — CID 120876607

IUPAC2,3-dimethyl-1-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]piperazine
SMILESCc1cc2c(cc1S(=O)(=O)N1CCNC(C)C1C)OCO2
InChIInChI=1S/C14H20N2O4S/c1-9-6-12-13(20-8-19-12)7-14(9)21(17,18)16-5-4-15-10(2)11(16)3/h6-7,10-11,15H,4-5,8H2,1-3H3
InChIKeyRRVPXAPVBSKVFF-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.09
Rot. Bonds2

About 2,3-dimethyl-1-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]piperazine

2,3-dimethyl-1-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]piperazine (PubChem CID 120876607) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2,3-dimethyl-1-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]piperazine.

Molecular Properties

Compound Name2,3-dimethyl-1-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]piperazine
PubChem CID120876607
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2,3-dimethyl-1-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]piperazine
SMILESCc1cc2c(cc1S(=O)(=O)N1CCNC(C)C1C)OCO2
InChIInChI=1S/C14H20N2O4S/c1-9-6-12-13(20-8-19-12)7-14(9)21(17,18)16-5-4-15-10(2)11(16)3/h6-7,10-11,15H,4-5,8H2,1-3H3
InChIKeyRRVPXAPVBSKVFF-UHFFFAOYSA-N
XLogP1.09
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725689
1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dimethylpiperazine
CID 120725851
(2S)-1-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 120660352
2,3-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine;hydrochloride
CID 120725684
2,3-dimethyl-1-(2,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120725343
6-methyl-N-(2-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 120876654
1-(2-ethylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725529
1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
CID 120725578
1-(2,4-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725527
4-(2,3-dimethylpiperazin-1-yl)sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride
CID 120876566
N-methyl-1-[1-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]pyrrolidin-2-yl]methanamine
CID 120875511
1-(2,5-difluorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
CID 120725989

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]piperazine?
The IUPAC name of 2,3-dimethyl-1-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]piperazine (CID 120876607) is 2,3-dimethyl-1-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]piperazine.
What is the SMILES notation for 2,3-dimethyl-1-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]piperazine?
The canonical SMILES for 2,3-dimethyl-1-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]piperazine is Cc1cc2c(cc1S(=O)(=O)N1CCNC(C)C1C)OCO2.
What is the InChIKey of 2,3-dimethyl-1-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]piperazine?
The InChIKey is RRVPXAPVBSKVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-9-6-12-13(20-8-19-12)7-14(9)21(17,18)16-5-4-15-10(2)11(16)3/h6-7,10-11,15H,4-5,8H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]piperazine?
2,3-dimethyl-1-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]piperazine has a molecular weight of 312.39 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]piperazine is sourced from PubChem (CID 120876607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).