2-(2-methylpropyl)-1-(2-propan-2-ylsulfonylethyl)-5-propylpiperazine

C16H34N2O2S — CID 106732868

IUPAC2-(2-methylpropyl)-1-(2-propan-2-ylsulfonylethyl)-5-propylpiperazine
SMILESCCCC1CN(CCS(=O)(=O)C(C)C)C(CC(C)C)CN1
InChIInChI=1S/C16H34N2O2S/c1-6-7-15-12-18(8-9-21(19,20)14(4)5)16(11-17-15)10-13(2)3/h13-17H,6-12H2,1-5H3
InChIKeyFGIUWIRPHHCTPB-UHFFFAOYSA-N
MW318.53 g/mol
LogP2.30
Rot. Bonds8

About 2-(2-methylpropyl)-1-(2-propan-2-ylsulfonylethyl)-5-propylpiperazine

2-(2-methylpropyl)-1-(2-propan-2-ylsulfonylethyl)-5-propylpiperazine (PubChem CID 106732868) has the molecular formula C16H34N2O2S and a molecular weight of 318.53 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-(2-propan-2-ylsulfonylethyl)-5-propylpiperazine.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-(2-propan-2-ylsulfonylethyl)-5-propylpiperazine
PubChem CID106732868
Molecular FormulaC16H34N2O2S
Molecular Weight318.53 g/mol
Exact Mass318.23
IUPAC Name2-(2-methylpropyl)-1-(2-propan-2-ylsulfonylethyl)-5-propylpiperazine
SMILESCCCC1CN(CCS(=O)(=O)C(C)C)C(CC(C)C)CN1
InChIInChI=1S/C16H34N2O2S/c1-6-7-15-12-18(8-9-21(19,20)14(4)5)16(11-17-15)10-13(2)3/h13-17H,6-12H2,1-5H3
InChIKeyFGIUWIRPHHCTPB-UHFFFAOYSA-N
XLogP2.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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-(2-methylpropyl)-1-pentyl-5-propylpiperazine
CID 64839965
5-ethyl-2-(2-methylpropyl)-1-(2-propylsulfonylethyl)piperazine
CID 106732985
5-(2-methylpropyl)-1-(2-methylsulfonylethyl)-2-propylpiperazine
CID 64847770
2,5-bis(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
CID 64849321
1-[2-(3-methylbutoxy)ethyl]-2-(2-methylpropyl)-5-propylpiperazine
CID 64839963
5-ethyl-1-(3-ethylsulfonylpropyl)-2-(2-methylpropyl)piperazine
CID 65096899
1-(2-ethylsulfonylethyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 106732837
1-(cyclopentylmethyl)-2-(2-methylpropyl)-5-propylpiperazine
CID 64840737
5-ethyl-2-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine
CID 106732978
1-(2-tert-butylsulfonylethyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 106733055
2-ethyl-1-(3-ethylsulfonylpropyl)-5-(2-methylpropyl)piperazine
CID 65097214
1-(2-propan-2-ylsulfonylethyl)-3-propyl-1,4-diazepane
CID 106733340

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1-(2-propan-2-ylsulfonylethyl)-5-propylpiperazine?
The IUPAC name of 2-(2-methylpropyl)-1-(2-propan-2-ylsulfonylethyl)-5-propylpiperazine (CID 106732868) is 2-(2-methylpropyl)-1-(2-propan-2-ylsulfonylethyl)-5-propylpiperazine.
What is the SMILES notation for 2-(2-methylpropyl)-1-(2-propan-2-ylsulfonylethyl)-5-propylpiperazine?
The canonical SMILES for 2-(2-methylpropyl)-1-(2-propan-2-ylsulfonylethyl)-5-propylpiperazine is CCCC1CN(CCS(=O)(=O)C(C)C)C(CC(C)C)CN1.
What is the InChIKey of 2-(2-methylpropyl)-1-(2-propan-2-ylsulfonylethyl)-5-propylpiperazine?
The InChIKey is FGIUWIRPHHCTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2S/c1-6-7-15-12-18(8-9-21(19,20)14(4)5)16(11-17-15)10-13(2)3/h13-17H,6-12H2,1-5H3.
What are the key properties of 2-(2-methylpropyl)-1-(2-propan-2-ylsulfonylethyl)-5-propylpiperazine?
2-(2-methylpropyl)-1-(2-propan-2-ylsulfonylethyl)-5-propylpiperazine has a molecular weight of 318.53 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-(2-propan-2-ylsulfonylethyl)-5-propylpiperazine is sourced from PubChem (CID 106732868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).