ethyl 4-cyclopropylsulfonylpiperazine-1-carboxylate

C10H18N2O4S — CID 45497289

IUPACethyl 4-cyclopropylsulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C10H18N2O4S/c1-2-16-10(13)11-5-7-12(8-6-11)17(14,15)9-3-4-9/h9H,2-8H2,1H3
InChIKeyTYILTXODWFKWHI-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.25
Rot. Bonds3

About ethyl 4-cyclopropylsulfonylpiperazine-1-carboxylate

ethyl 4-cyclopropylsulfonylpiperazine-1-carboxylate (PubChem CID 45497289) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is ethyl 4-cyclopropylsulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclopropylsulfonylpiperazine-1-carboxylate
PubChem CID45497289
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Nameethyl 4-cyclopropylsulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C10H18N2O4S/c1-2-16-10(13)11-5-7-12(8-6-11)17(14,15)9-3-4-9/h9H,2-8H2,1H3
InChIKeyTYILTXODWFKWHI-UHFFFAOYSA-N
XLogP0.25
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-cyclopropylsulfonylpiperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 4-(2-sulfamoylethyl)piperazine-1-carboxylate
CID 54595725
Ethyl 4-(methylsulfonyl)piperazinecarboxylate
CID 773522
1-Piperazinecarboxylic acid, 4-(3-sulfopropyl)-, ethyl ester
CID 211442
tert-Butyl 4-(1-propanesulfonyl)piperazin-1-carboxylate
CID 46743467
Ethyl 4-(ethanesulfonyl)piperazine-1-carboxylate
CID 52448686
2,2,2-Trifluoroethyl 4-propylsulfonylpiperazine-1-carboxylate
CID 65173776
1-Ethoxycarbonyl-4-(3-mesyloxypropyl)piperazine
CID 14772795
4-tert-Butoxycarbonyl-1-[(3-methoxymethyloxy-1-propyl)sulfonyl]piperazine
CID 22709685
4-tert-Butoxycarbonyl-1-[(3-hydroxy-1-propyl)sulfonyl]piperazine
CID 22709886
Tert-butyl4-(isopropylsulfonyl)piperazine-1-carboxylate
CID 46743461
tert-Butyl 4-(ethanesulfonyl)-piperazine-1-carboxylate
CID 46743464
Ethyl 4-(propylsulfonyl)piperazine-1-carboxylate
CID 52448879

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclopropylsulfonylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-cyclopropylsulfonylpiperazine-1-carboxylate (CID 45497289) is ethyl 4-cyclopropylsulfonylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-cyclopropylsulfonylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-cyclopropylsulfonylpiperazine-1-carboxylate is CCOC(=O)N1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of ethyl 4-cyclopropylsulfonylpiperazine-1-carboxylate?
The InChIKey is TYILTXODWFKWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-2-16-10(13)11-5-7-12(8-6-11)17(14,15)9-3-4-9/h9H,2-8H2,1H3.
What are the key properties of ethyl 4-cyclopropylsulfonylpiperazine-1-carboxylate?
ethyl 4-cyclopropylsulfonylpiperazine-1-carboxylate has a molecular weight of 262.33 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclopropylsulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 45497289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).