3,3-dimethyl-1-methylsulfonylpiperazine

C7H16N2O2S — CID 19815142

IUPAC3,3-dimethyl-1-methylsulfonylpiperazine
SMILESCC1(C)CN(S(C)(=O)=O)CCN1
InChIInChI=1S/C7H16N2O2S/c1-7(2)6-9(5-4-8-7)12(3,10)11/h8H,4-6H2,1-3H3
InChIKeyXGPSKFQWNTUFSH-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.37
Rot. Bonds1

About 3,3-dimethyl-1-methylsulfonylpiperazine

3,3-dimethyl-1-methylsulfonylpiperazine (PubChem CID 19815142) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 3,3-dimethyl-1-methylsulfonylpiperazine.

Molecular Properties

Compound Name3,3-dimethyl-1-methylsulfonylpiperazine
PubChem CID19815142
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name3,3-dimethyl-1-methylsulfonylpiperazine
SMILESCC1(C)CN(S(C)(=O)=O)CCN1
InChIInChI=1S/C7H16N2O2S/c1-7(2)6-9(5-4-8-7)12(3,10)11/h8H,4-6H2,1-3H3
InChIKeyXGPSKFQWNTUFSH-UHFFFAOYSA-N
XLogP-0.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Methylsulfonyl)piperazine
CID 709161
N-(piperidin-3-yl)methanesulfonamide
CID 20113226
N-((piperidin-2-yl)methyl)methanesulfonamide
CID 18070091
(2S)-1-methanesulfonyl-2-methylpiperazine hydrochloride
CID 66617740
2-(Fluoromethyl)-1-methylsulfonylpiperazine
CID 130440437
(2S,5S)-1-methylsulfonyl-2,5-di(propan-2-yl)piperazine
CID 94989971
N-[1-(2,2-difluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 63858455
2,2-Dimethyl-1-(trifluoromethylsulfonyl)piperazine
CID 65462552
1-(Difluoromethylsulfonyl)-2,2-dimethylpiperazine
CID 65462562
N-[1-(2-fluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 80696152
N-[1-(3-fluoropropylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 81106340
1-(Difluoromethylsulfonyl)-3,3-dimethylpiperazine
CID 82993524

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-methylsulfonylpiperazine?
The IUPAC name of 3,3-dimethyl-1-methylsulfonylpiperazine (CID 19815142) is 3,3-dimethyl-1-methylsulfonylpiperazine.
What is the SMILES notation for 3,3-dimethyl-1-methylsulfonylpiperazine?
The canonical SMILES for 3,3-dimethyl-1-methylsulfonylpiperazine is CC1(C)CN(S(C)(=O)=O)CCN1.
What is the InChIKey of 3,3-dimethyl-1-methylsulfonylpiperazine?
The InChIKey is XGPSKFQWNTUFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-7(2)6-9(5-4-8-7)12(3,10)11/h8H,4-6H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-methylsulfonylpiperazine?
3,3-dimethyl-1-methylsulfonylpiperazine has a molecular weight of 192.28 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-methylsulfonylpiperazine is sourced from PubChem (CID 19815142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).