3-propan-2-yl-1-(2-propylsulfonylethyl)piperazine

C12H26N2O2S — CID 106732690

IUPAC3-propan-2-yl-1-(2-propylsulfonylethyl)piperazine
SMILESCCCS(=O)(=O)CCN1CCNC(C(C)C)C1
InChIInChI=1S/C12H26N2O2S/c1-4-8-17(15,16)9-7-14-6-5-13-12(10-14)11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyJYQLEDCDUVQEGS-UHFFFAOYSA-N
MW262.42 g/mol
LogP0.74
Rot. Bonds6

About 3-propan-2-yl-1-(2-propylsulfonylethyl)piperazine

3-propan-2-yl-1-(2-propylsulfonylethyl)piperazine (PubChem CID 106732690) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 3-propan-2-yl-1-(2-propylsulfonylethyl)piperazine.

Molecular Properties

Compound Name3-propan-2-yl-1-(2-propylsulfonylethyl)piperazine
PubChem CID106732690
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name3-propan-2-yl-1-(2-propylsulfonylethyl)piperazine
SMILESCCCS(=O)(=O)CCN1CCNC(C(C)C)C1
InChIInChI=1S/C12H26N2O2S/c1-4-8-17(15,16)9-7-14-6-5-13-12(10-14)11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyJYQLEDCDUVQEGS-UHFFFAOYSA-N
XLogP0.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)butan-1-amine
CID 121524161
3-Piperazin-1-ylthiolane 1,1-dioxide
CID 4962357
1-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)piperazine
CID 46785848
1-ethylsulfonyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propan-2-amine
CID 86782206
(2R)-1-ethylsulfonyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propan-2-amine
CID 97856814
(2S)-1-ethylsulfonyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propan-2-amine
CID 97856815
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 113749252
3-[[2-(Trifluoromethyl)piperazin-1-yl]methyl]thiolane 1,1-dioxide
CID 115101257
4-[[2-(Trifluoromethyl)piperazin-1-yl]methyl]thiane 1,1-dioxide
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CID 126845943

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-(2-propylsulfonylethyl)piperazine?
The IUPAC name of 3-propan-2-yl-1-(2-propylsulfonylethyl)piperazine (CID 106732690) is 3-propan-2-yl-1-(2-propylsulfonylethyl)piperazine.
What is the SMILES notation for 3-propan-2-yl-1-(2-propylsulfonylethyl)piperazine?
The canonical SMILES for 3-propan-2-yl-1-(2-propylsulfonylethyl)piperazine is CCCS(=O)(=O)CCN1CCNC(C(C)C)C1.
What is the InChIKey of 3-propan-2-yl-1-(2-propylsulfonylethyl)piperazine?
The InChIKey is JYQLEDCDUVQEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-4-8-17(15,16)9-7-14-6-5-13-12(10-14)11(2)3/h11-13H,4-10H2,1-3H3.
What are the key properties of 3-propan-2-yl-1-(2-propylsulfonylethyl)piperazine?
3-propan-2-yl-1-(2-propylsulfonylethyl)piperazine has a molecular weight of 262.42 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-(2-propylsulfonylethyl)piperazine is sourced from PubChem (CID 106732690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).