1-(2-ethylsulfonylpropan-2-yl)piperazine

C9H20N2O2S — CID 117037875

IUPAC1-(2-ethylsulfonylpropan-2-yl)piperazine
SMILESCCS(=O)(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C9H20N2O2S/c1-4-14(12,13)9(2,3)11-7-5-10-6-8-11/h10H,4-8H2,1-3H3
InChIKeyQYRKTJMMYMQVOX-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.06
Rot. Bonds3

About 1-(2-ethylsulfonylpropan-2-yl)piperazine

1-(2-ethylsulfonylpropan-2-yl)piperazine (PubChem CID 117037875) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-(2-ethylsulfonylpropan-2-yl)piperazine.

Molecular Properties

Compound Name1-(2-ethylsulfonylpropan-2-yl)piperazine
PubChem CID117037875
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name1-(2-ethylsulfonylpropan-2-yl)piperazine
SMILESCCS(=O)(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C9H20N2O2S/c1-4-14(12,13)9(2,3)11-7-5-10-6-8-11/h10H,4-8H2,1-3H3
InChIKeyQYRKTJMMYMQVOX-UHFFFAOYSA-N
XLogP0.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-2-propylsulfonylpropyl)piperazine
CID 117037847
1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine
CID 158347014
4-methyl-1-methylsulfonyl-4-piperazin-1-ylpentan-3-one
CID 116599289
1-[3-(2-imidazolidin-1-ylpropan-2-yl)-2,4-dimethylhex-3-en-2-yl]piperazine
CID 70026020
2-methyl-N-methylsulfonyl-2-piperazin-1-ylpropanamide
CID 103287498
1-(2-methylhexan-2-yl)-1,4-diazepane
CID 155280442
N-ethyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548345
1-tert-butylpiperazine;ethane;methane
CID 161367706
2-piperazin-1-ylpropan-2-amine
CID 54235590
1-piperazin-1-ylethane-1,1-dithiol
CID 54504790
1-tert-butylsulfonyl-1,4-diazepane
CID 63687283
1-tert-butyl-1,4,8,11-tetrazacyclotetradecane
CID 155077597

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylpropan-2-yl)piperazine?
The IUPAC name of 1-(2-ethylsulfonylpropan-2-yl)piperazine (CID 117037875) is 1-(2-ethylsulfonylpropan-2-yl)piperazine.
What is the SMILES notation for 1-(2-ethylsulfonylpropan-2-yl)piperazine?
The canonical SMILES for 1-(2-ethylsulfonylpropan-2-yl)piperazine is CCS(=O)(=O)C(C)(C)N1CCNCC1.
What is the InChIKey of 1-(2-ethylsulfonylpropan-2-yl)piperazine?
The InChIKey is QYRKTJMMYMQVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-4-14(12,13)9(2,3)11-7-5-10-6-8-11/h10H,4-8H2,1-3H3.
What are the key properties of 1-(2-ethylsulfonylpropan-2-yl)piperazine?
1-(2-ethylsulfonylpropan-2-yl)piperazine has a molecular weight of 220.34 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylpropan-2-yl)piperazine is sourced from PubChem (CID 117037875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).