2,3-dimethyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride

C11H23ClN2O3S — CID 120876580

IUPAC2,3-dimethyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride
SMILESCC1NCCN(S(=O)(=O)C2CCCOC2)C1C.Cl
InChIInChI=1S/C11H22N2O3S.ClH/c1-9-10(2)13(6-5-12-9)17(14,15)11-4-3-7-16-8-11;/h9-12H,3-8H2,1-2H3;1H
InChIKeyKZNHUADSQLSAST-UHFFFAOYSA-N
MW298.84 g/mol
LogP0.60
Rot. Bonds2

About 2,3-dimethyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride

2,3-dimethyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride (PubChem CID 120876580) has the molecular formula C11H23ClN2O3S and a molecular weight of 298.84 g/mol. Its IUPAC name is 2,3-dimethyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride.

Molecular Properties

Compound Name2,3-dimethyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride
PubChem CID120876580
Molecular FormulaC11H23ClN2O3S
Molecular Weight298.84 g/mol
Exact Mass298.11
IUPAC Name2,3-dimethyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride
SMILESCC1NCCN(S(=O)(=O)C2CCCOC2)C1C.Cl
InChIInChI=1S/C11H22N2O3S.ClH/c1-9-10(2)13(6-5-12-9)17(14,15)11-4-3-7-16-8-11;/h9-12H,3-8H2,1-2H3;1H
InChIKeyKZNHUADSQLSAST-UHFFFAOYSA-N
XLogP0.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-methyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride
CID 120875759
1-(oxan-3-ylsulfonyl)-2-propylpiperazine;hydrochloride
CID 120876179
1-[1-(oxan-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
CID 120999650
N-methyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride
CID 120875093
2-(2-methoxyphenyl)-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride
CID 120876675
3-(oxan-3-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120875403
(3S)-oxane-3-sulfonyl fluoride
CID 124710027
3,3-dimethyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride
CID 120877009
N-methyloxane-3-sulfonamide
CID 69039393
(3S)-1-[(3R)-oxan-3-yl]sulfonylpyrrolidin-3-amine
CID 100627309
4-(2,3-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine
CID 120725700
2,3-dimethyl-1-(2-methylpentylsulfonyl)piperazine;hydrochloride
CID 120725770

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride?
The IUPAC name of 2,3-dimethyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride (CID 120876580) is 2,3-dimethyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride.
What is the SMILES notation for 2,3-dimethyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride?
The canonical SMILES for 2,3-dimethyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride is CC1NCCN(S(=O)(=O)C2CCCOC2)C1C.Cl.
What is the InChIKey of 2,3-dimethyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride?
The InChIKey is KZNHUADSQLSAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S.ClH/c1-9-10(2)13(6-5-12-9)17(14,15)11-4-3-7-16-8-11;/h9-12H,3-8H2,1-2H3;1H.
What are the key properties of 2,3-dimethyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride?
2,3-dimethyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride has a molecular weight of 298.84 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride is sourced from PubChem (CID 120876580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).