1-methylsulfonyl-4-propylpiperazine

C8H18N2O2S — CID 22772807

IUPAC1-methylsulfonyl-4-propylpiperazine
SMILESCCCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C8H18N2O2S/c1-3-4-9-5-7-10(8-6-9)13(2,11)12/h3-8H2,1-2H3
InChIKeyFDLPYXZDNRULKJ-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.03
Rot. Bonds3

About 1-methylsulfonyl-4-propylpiperazine

1-methylsulfonyl-4-propylpiperazine (PubChem CID 22772807) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-methylsulfonyl-4-propylpiperazine.

Molecular Properties

Compound Name1-methylsulfonyl-4-propylpiperazine
PubChem CID22772807
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name1-methylsulfonyl-4-propylpiperazine
SMILESCCCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C8H18N2O2S/c1-3-4-9-5-7-10(8-6-9)13(2,11)12/h3-8H2,1-2H3
InChIKeyFDLPYXZDNRULKJ-UHFFFAOYSA-N
XLogP-0.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methylsulfonyl-4-propylpiperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-4-propylpiperazine?
The IUPAC name of 1-methylsulfonyl-4-propylpiperazine (CID 22772807) is 1-methylsulfonyl-4-propylpiperazine.
What is the SMILES notation for 1-methylsulfonyl-4-propylpiperazine?
The canonical SMILES for 1-methylsulfonyl-4-propylpiperazine is CCCN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-methylsulfonyl-4-propylpiperazine?
The InChIKey is FDLPYXZDNRULKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-3-4-9-5-7-10(8-6-9)13(2,11)12/h3-8H2,1-2H3.
What are the key properties of 1-methylsulfonyl-4-propylpiperazine?
1-methylsulfonyl-4-propylpiperazine has a molecular weight of 206.31 g/mol, XLogP of -0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-4-propylpiperazine is sourced from PubChem (CID 22772807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).