1-(3-ethylsulfonylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine

C14H30N2O2S — CID 65097482

IUPAC1-(3-ethylsulfonylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCCS(=O)(=O)CCCN1CC(C)(C)NCC1C(C)C
InChIInChI=1S/C14H30N2O2S/c1-6-19(17,18)9-7-8-16-11-14(4,5)15-10-13(16)12(2)3/h12-13,15H,6-11H2,1-5H3
InChIKeyJBKREYBHTRXWGV-UHFFFAOYSA-N
MW290.47 g/mol
LogP1.52
Rot. Bonds6

About 1-(3-ethylsulfonylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine

1-(3-ethylsulfonylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine (PubChem CID 65097482) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine
PubChem CID65097482
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC Name1-(3-ethylsulfonylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCCS(=O)(=O)CCCN1CC(C)(C)NCC1C(C)C
InChIInChI=1S/C14H30N2O2S/c1-6-19(17,18)9-7-8-16-11-14(4,5)15-10-13(16)12(2)3/h12-13,15H,6-11H2,1-5H3
InChIKeyJBKREYBHTRXWGV-UHFFFAOYSA-N
XLogP1.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-diethyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine
CID 65097167
2-tert-butyl-1-(3-ethylsulfonylpropyl)-5,5-dimethylpiperazine
CID 65097540
5,5-dimethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64941038
1-(3-ethylsulfonylpropyl)-3,3,7-trimethyl-1,4-diazepane
CID 65096269
1-(cyclopropylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64840273
1-[3-(2-methoxyethoxy)propyl]-5,5-dimethyl-2-propan-2-ylpiperazine
CID 103414152
5,5-dimethyl-1-(3-methylsulfinylbutyl)-2-propan-2-ylpiperazine
CID 113490892
9-(3-methylsulfonylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64876601
1-(2-ethylbutyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 82924761
1-(3-ethylsulfonylpropyl)-2-propan-2-yl-5-propylpiperazine
CID 65097056
5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine
CID 65097323
1-(3-imidazol-1-ylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64839499

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(3-ethylsulfonylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine (CID 65097482) is 1-(3-ethylsulfonylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3-ethylsulfonylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(3-ethylsulfonylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine is CCS(=O)(=O)CCCN1CC(C)(C)NCC1C(C)C.
What is the InChIKey of 1-(3-ethylsulfonylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The InChIKey is JBKREYBHTRXWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-6-19(17,18)9-7-8-16-11-14(4,5)15-10-13(16)12(2)3/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 1-(3-ethylsulfonylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
1-(3-ethylsulfonylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine has a molecular weight of 290.47 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 65097482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).