2,5-dimethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperazine

C12H25N3O2S — CID 64979854

IUPAC2,5-dimethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperazine
SMILESCC1CN(S(=O)(=O)N2CCCCC2C)C(C)CN1
InChIInChI=1S/C12H25N3O2S/c1-10-9-15(12(3)8-13-10)18(16,17)14-7-5-4-6-11(14)2/h10-13H,4-9H2,1-3H3
InChIKeyDRDNHNCKDPHQCE-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.79
Rot. Bonds2

About 2,5-dimethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperazine

2,5-dimethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperazine (PubChem CID 64979854) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2,5-dimethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperazine.

Molecular Properties

Compound Name2,5-dimethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperazine
PubChem CID64979854
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name2,5-dimethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperazine
SMILESCC1CN(S(=O)(=O)N2CCCCC2C)C(C)CN1
InChIInChI=1S/C12H25N3O2S/c1-10-9-15(12(3)8-13-10)18(16,17)14-7-5-4-6-11(14)2/h10-13H,4-9H2,1-3H3
InChIKeyDRDNHNCKDPHQCE-UHFFFAOYSA-N
XLogP0.79
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperazine
CID 62671714
1-(2-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 43210809
1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 43210782
2-methyl-1-piperidin-1-ylsulfonylpiperidine
CID 60723774
4-(2,5-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine
CID 64980380
1-ethylsulfonyl-2,5-dimethylpiperazine
CID 64980469
(3aS,6aS)-5-(2-methylpiperidin-1-yl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 43602956
(2S)-2-methylpiperidine-1-sulfonyl chloride
CID 98117610
1-methyl-4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-1,4-diazepane
CID 94021502
2-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine
CID 55241014
2,5-dimethyl-1-(2-methylsulfonylethylsulfonyl)piperazine
CID 64979826
1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965380

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperazine?
The IUPAC name of 2,5-dimethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperazine (CID 64979854) is 2,5-dimethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperazine.
What is the SMILES notation for 2,5-dimethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperazine?
The canonical SMILES for 2,5-dimethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperazine is CC1CN(S(=O)(=O)N2CCCCC2C)C(C)CN1.
What is the InChIKey of 2,5-dimethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperazine?
The InChIKey is DRDNHNCKDPHQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-10-9-15(12(3)8-13-10)18(16,17)14-7-5-4-6-11(14)2/h10-13H,4-9H2,1-3H3.
What are the key properties of 2,5-dimethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperazine?
2,5-dimethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperazine has a molecular weight of 275.42 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperazine is sourced from PubChem (CID 64979854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).