1-(2-tert-butylsulfonylethyl)-2-ethyl-5-(2-methylpropyl)piperazine

C16H34N2O2S — CID 106733055

IUPAC1-(2-tert-butylsulfonylethyl)-2-ethyl-5-(2-methylpropyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C16H34N2O2S/c1-7-15-11-17-14(10-13(2)3)12-18(15)8-9-21(19,20)16(4,5)6/h13-15,17H,7-12H2,1-6H3
InChIKeyMDHWFXNKMKBMOJ-UHFFFAOYSA-N
MW318.53 g/mol
LogP2.30
Rot. Bonds6

About 1-(2-tert-butylsulfonylethyl)-2-ethyl-5-(2-methylpropyl)piperazine

1-(2-tert-butylsulfonylethyl)-2-ethyl-5-(2-methylpropyl)piperazine (PubChem CID 106733055) has the molecular formula C16H34N2O2S and a molecular weight of 318.53 g/mol. Its IUPAC name is 1-(2-tert-butylsulfonylethyl)-2-ethyl-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(2-tert-butylsulfonylethyl)-2-ethyl-5-(2-methylpropyl)piperazine
PubChem CID106733055
Molecular FormulaC16H34N2O2S
Molecular Weight318.53 g/mol
Exact Mass318.23
IUPAC Name1-(2-tert-butylsulfonylethyl)-2-ethyl-5-(2-methylpropyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C16H34N2O2S/c1-7-15-11-17-14(10-13(2)3)12-18(15)8-9-21(19,20)16(4,5)6/h13-15,17H,7-12H2,1-6H3
InChIKeyMDHWFXNKMKBMOJ-UHFFFAOYSA-N
XLogP2.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-(3-ethylsulfonylpropyl)-5-(2-methylpropyl)piperazine
CID 65097214
2,5-bis(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
CID 64849321
5-(2-methylpropyl)-1-(2-methylsulfonylethyl)-2-propylpiperazine
CID 64847770
2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine
CID 115327036
1-(2-cyclopentylethyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 64934770
2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine
CID 64848724
5-ethyl-2-(2-methylpropyl)-1-(2-propylsulfonylethyl)piperazine
CID 106732985
1-(3,3-dimethylbutyl)-2,5-bis(2-methylpropyl)piperazine
CID 64848550
5-ethyl-1-(3-ethylsulfonylpropyl)-2-(2-methylpropyl)piperazine
CID 65096899
2-ethyl-1-(2-ethylbutyl)-5-(2-methylpropyl)piperazine
CID 82925413
1-(2,3-dimethylbutyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 64941869
2-(2-methylpropyl)-1-(2-propan-2-ylsulfonylethyl)-5-propylpiperazine
CID 106732868

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfonylethyl)-2-ethyl-5-(2-methylpropyl)piperazine?
The IUPAC name of 1-(2-tert-butylsulfonylethyl)-2-ethyl-5-(2-methylpropyl)piperazine (CID 106733055) is 1-(2-tert-butylsulfonylethyl)-2-ethyl-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(2-tert-butylsulfonylethyl)-2-ethyl-5-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(2-tert-butylsulfonylethyl)-2-ethyl-5-(2-methylpropyl)piperazine is CCC1CNC(CC(C)C)CN1CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylsulfonylethyl)-2-ethyl-5-(2-methylpropyl)piperazine?
The InChIKey is MDHWFXNKMKBMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2S/c1-7-15-11-17-14(10-13(2)3)12-18(15)8-9-21(19,20)16(4,5)6/h13-15,17H,7-12H2,1-6H3.
What are the key properties of 1-(2-tert-butylsulfonylethyl)-2-ethyl-5-(2-methylpropyl)piperazine?
1-(2-tert-butylsulfonylethyl)-2-ethyl-5-(2-methylpropyl)piperazine has a molecular weight of 318.53 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfonylethyl)-2-ethyl-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 106733055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).