5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine

C14H28N2O2S — CID 65097008

IUPAC5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine
SMILESCCS(=O)(=O)CCCN1CC(C)(C2CC2)NCC1C
InChIInChI=1S/C14H28N2O2S/c1-4-19(17,18)9-5-8-16-11-14(3,13-6-7-13)15-10-12(16)2/h12-13,15H,4-11H2,1-3H3
InChIKeyDHFCDDJDYJFQSU-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.27
Rot. Bonds6

About 5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine

5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine (PubChem CID 65097008) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine
PubChem CID65097008
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine
SMILESCCS(=O)(=O)CCCN1CC(C)(C2CC2)NCC1C
InChIInChI=1S/C14H28N2O2S/c1-4-19(17,18)9-5-8-16-11-14(3,13-6-7-13)15-10-12(16)2/h12-13,15H,4-11H2,1-3H3
InChIKeyDHFCDDJDYJFQSU-UHFFFAOYSA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 65096316
5-cyclopropyl-2,5-dimethyl-1-(2-propylsulfonylethyl)piperazine
CID 106733202
1-(3-ethylsulfonylpropyl)-3,3,7-trimethyl-1,4-diazepane
CID 65096269
5-cyclopropyl-2,5-dimethyl-1-(5-methylhexyl)piperazine
CID 113287832
4-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
CID 64946958
1-(2-cyclohexylethyl)-5-cyclopropyl-2,5-dimethylpiperazine
CID 64934954
5-cyclopropyl-2,5-dimethyl-1-(4-phenylbutyl)piperazine
CID 114334950
5-cyclopropyl-2,5-dimethyl-1-[(1-methylpiperidin-2-yl)methyl]piperazine
CID 64948073
5-cyclopropyl-1-[2-(cyclopropylmethoxy)ethyl]-2,5-dimethylpiperazine
CID 114097818
1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine
CID 65098411
2,5-dicyclopropyl-5-methyl-1-pentylpiperazine
CID 64877520
5-cyclopropyl-2-ethyl-1-hexyl-5-methylpiperazine
CID 64876529

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine?
The IUPAC name of 5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine (CID 65097008) is 5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine is CCS(=O)(=O)CCCN1CC(C)(C2CC2)NCC1C.
What is the InChIKey of 5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine?
The InChIKey is DHFCDDJDYJFQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-4-19(17,18)9-5-8-16-11-14(3,13-6-7-13)15-10-12(16)2/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine?
5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine has a molecular weight of 288.46 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine is sourced from PubChem (CID 65097008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).