1-[(1S,3R)-3-methylcyclohexyl]-4-propylsulfonylpiperazine

C14H28N2O2S — CID 740719

IUPAC1-[(1S,3R)-3-methylcyclohexyl]-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN([C@H]2CCC[C@@H](C)C2)CC1
InChIInChI=1S/C14H28N2O2S/c1-3-11-19(17,18)16-9-7-15(8-10-16)14-6-4-5-13(2)12-14/h13-14H,3-12H2,1-2H3/t13-,14+/m1/s1
InChIKeyZVQNHYCDCXZQPZ-KGLIPLIRSA-N
MW288.46 g/mol
LogP1.92
Rot. Bonds4

About 1-[(1S,3R)-3-methylcyclohexyl]-4-propylsulfonylpiperazine

1-[(1S,3R)-3-methylcyclohexyl]-4-propylsulfonylpiperazine (PubChem CID 740719) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-[(1S,3R)-3-methylcyclohexyl]-4-propylsulfonylpiperazine.

Molecular Properties

Compound Name1-[(1S,3R)-3-methylcyclohexyl]-4-propylsulfonylpiperazine
PubChem CID740719
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name1-[(1S,3R)-3-methylcyclohexyl]-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN([C@H]2CCC[C@@H](C)C2)CC1
InChIInChI=1S/C14H28N2O2S/c1-3-11-19(17,18)16-9-7-15(8-10-16)14-6-4-5-13(2)12-14/h13-14H,3-12H2,1-2H3/t13-,14+/m1/s1
InChIKeyZVQNHYCDCXZQPZ-KGLIPLIRSA-N
XLogP1.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(1S,3R)-3-methylcyclohexyl]-4-propylsulfonylpiperazine 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-[(1S,3R)-3-methylcyclohexyl]-4-propylsulfonylpiperazine?
The IUPAC name of 1-[(1S,3R)-3-methylcyclohexyl]-4-propylsulfonylpiperazine (CID 740719) is 1-[(1S,3R)-3-methylcyclohexyl]-4-propylsulfonylpiperazine.
What is the SMILES notation for 1-[(1S,3R)-3-methylcyclohexyl]-4-propylsulfonylpiperazine?
The canonical SMILES for 1-[(1S,3R)-3-methylcyclohexyl]-4-propylsulfonylpiperazine is CCCS(=O)(=O)N1CCN([C@H]2CCC[C@@H](C)C2)CC1.
What is the InChIKey of 1-[(1S,3R)-3-methylcyclohexyl]-4-propylsulfonylpiperazine?
The InChIKey is ZVQNHYCDCXZQPZ-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-3-11-19(17,18)16-9-7-15(8-10-16)14-6-4-5-13(2)12-14/h13-14H,3-12H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of 1-[(1S,3R)-3-methylcyclohexyl]-4-propylsulfonylpiperazine?
1-[(1S,3R)-3-methylcyclohexyl]-4-propylsulfonylpiperazine has a molecular weight of 288.46 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3R)-3-methylcyclohexyl]-4-propylsulfonylpiperazine is sourced from PubChem (CID 740719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).