1-(3-ethylsulfonylpropyl)piperazine

C9H20N2O2S — CID 65093956

IUPAC1-(3-ethylsulfonylpropyl)piperazine
SMILESCCS(=O)(=O)CCCN1CCNCC1
InChIInChI=1S/C9H20N2O2S/c1-2-14(12,13)9-3-6-11-7-4-10-5-8-11/h10H,2-9H2,1H3
InChIKeyDZGAICRCBMEFHQ-UHFFFAOYSA-N
MW220.34 g/mol
LogP-0.28
Rot. Bonds5

About 1-(3-ethylsulfonylpropyl)piperazine

1-(3-ethylsulfonylpropyl)piperazine (PubChem CID 65093956) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropyl)piperazine.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropyl)piperazine
PubChem CID65093956
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name1-(3-ethylsulfonylpropyl)piperazine
SMILESCCS(=O)(=O)CCCN1CCNCC1
InChIInChI=1S/C9H20N2O2S/c1-2-14(12,13)9-3-6-11-7-4-10-5-8-11/h10H,2-9H2,1H3
InChIKeyDZGAICRCBMEFHQ-UHFFFAOYSA-N
XLogP-0.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-Aminopropyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 24728054
1-(Tetrahydro-1,1-dioxido-3-thienyl)piperazine dihydrochloride
CID 16248271
1-(2-Methanesulfonylethyl)piperazine dihydrochloride
CID 17749885
N'-(1,1-Dioxidotetrahydrothien-3-Yl)-N,N-Diethylethane-1,2-Diamine
CID 16226707
4-(2-Aminoethyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 2760618
4-(Piperazin-1-yl)-1lambda6-thiane-1,1-dione dihydrochloride
CID 56773490
1-(2-(Methylsulfonyl)ethyl)piperazine
CID 3801959
3-Piperazin-1-ylthiolane 1,1-dioxide
CID 4962357
2-[(Piperazin-1-yl)methyl]-1lambda6-thiolane-1,1-dione dihydrochloride
CID 126812361
Methylsulfonyl propyl piperazine
CID 91804237
N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 3131596
N-[2-(4-methylpiperazin-1-yl)ethyl]propane-1-sulfonamide
CID 60703057

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylpropyl)piperazine?
The IUPAC name of 1-(3-ethylsulfonylpropyl)piperazine (CID 65093956) is 1-(3-ethylsulfonylpropyl)piperazine.
What is the SMILES notation for 1-(3-ethylsulfonylpropyl)piperazine?
The canonical SMILES for 1-(3-ethylsulfonylpropyl)piperazine is CCS(=O)(=O)CCCN1CCNCC1.
What is the InChIKey of 1-(3-ethylsulfonylpropyl)piperazine?
The InChIKey is DZGAICRCBMEFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-2-14(12,13)9-3-6-11-7-4-10-5-8-11/h10H,2-9H2,1H3.
What are the key properties of 1-(3-ethylsulfonylpropyl)piperazine?
1-(3-ethylsulfonylpropyl)piperazine has a molecular weight of 220.34 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylpropyl)piperazine is sourced from PubChem (CID 65093956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).