3,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine;hydrochloride

C9H21ClN2O4S2 — CID 119980573

IUPAC3,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine;hydrochloride
SMILESCC1CN(S(=O)(=O)CCS(C)(=O)=O)CC(C)N1.Cl
InChIInChI=1S/C9H20N2O4S2.ClH/c1-8-6-11(7-9(2)10-8)17(14,15)5-4-16(3,12)13;/h8-10H,4-7H2,1-3H3;1H
InChIKeyGSTDGZPGOIHAFK-UHFFFAOYSA-N
MW320.86 g/mol
LogP-0.54
Rot. Bonds4

About 3,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine;hydrochloride

3,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine;hydrochloride (PubChem CID 119980573) has the molecular formula C9H21ClN2O4S2 and a molecular weight of 320.86 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine;hydrochloride
PubChem CID119980573
Molecular FormulaC9H21ClN2O4S2
Molecular Weight320.86 g/mol
Exact Mass320.06
IUPAC Name3,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine;hydrochloride
SMILESCC1CN(S(=O)(=O)CCS(C)(=O)=O)CC(C)N1.Cl
InChIInChI=1S/C9H20N2O4S2.ClH/c1-8-6-11(7-9(2)10-8)17(14,15)5-4-16(3,12)13;/h8-10H,4-7H2,1-3H3;1H
InChIKeyGSTDGZPGOIHAFK-UHFFFAOYSA-N
XLogP-0.54
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 131076534
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2,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine
CID 64979826
2-(chloromethyl)-6-methyl-4-(2-methylsulfonylethylsulfonyl)morpholine
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CID 63242667
4-(2-methylsulfonylethylsulfonyl)piperazine-2,6-dione
CID 66084609
3-(bromomethyl)-1-(2-methylsulfonylethylsulfonyl)pyrrolidine
CID 80674505
4-(2-methylsulfonylethylsulfonyl)morpholine
CID 64591555
3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine
CID 63872906
N-butyl-N,3,5-trimethylpiperazine-1-sulfonamide
CID 63873091
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CID 120766071

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine;hydrochloride?
The IUPAC name of 3,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine;hydrochloride (CID 119980573) is 3,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine;hydrochloride?
The canonical SMILES for 3,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine;hydrochloride is CC1CN(S(=O)(=O)CCS(C)(=O)=O)CC(C)N1.Cl.
What is the InChIKey of 3,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine;hydrochloride?
The InChIKey is GSTDGZPGOIHAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S2.ClH/c1-8-6-11(7-9(2)10-8)17(14,15)5-4-16(3,12)13;/h8-10H,4-7H2,1-3H3;1H.
What are the key properties of 3,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine;hydrochloride?
3,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine;hydrochloride has a molecular weight of 320.86 g/mol, XLogP of -0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine;hydrochloride is sourced from PubChem (CID 119980573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).