1-(cycloheptylmethyl)-4-(2-methylsulfonylethyl)piperazine

C15H30N2O2S — CID 75507205

IUPAC1-(cycloheptylmethyl)-4-(2-methylsulfonylethyl)piperazine
SMILESCS(=O)(=O)CCN1CCN(CC2CCCCCC2)CC1
InChIInChI=1S/C15H30N2O2S/c1-20(18,19)13-12-16-8-10-17(11-9-16)14-15-6-4-2-3-5-7-15/h15H,2-14H2,1H3
InChIKeyVDZQVSYLCPNFKN-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.62
Rot. Bonds5

About 1-(cycloheptylmethyl)-4-(2-methylsulfonylethyl)piperazine

1-(cycloheptylmethyl)-4-(2-methylsulfonylethyl)piperazine (PubChem CID 75507205) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 1-(cycloheptylmethyl)-4-(2-methylsulfonylethyl)piperazine.

Molecular Properties

Compound Name1-(cycloheptylmethyl)-4-(2-methylsulfonylethyl)piperazine
PubChem CID75507205
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name1-(cycloheptylmethyl)-4-(2-methylsulfonylethyl)piperazine
SMILESCS(=O)(=O)CCN1CCN(CC2CCCCCC2)CC1
InChIInChI=1S/C15H30N2O2S/c1-20(18,19)13-12-16-8-10-17(11-9-16)14-15-6-4-2-3-5-7-15/h15H,2-14H2,1H3
InChIKeyVDZQVSYLCPNFKN-UHFFFAOYSA-N
XLogP1.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(cycloheptylmethyl)-4-(2-methylsulfonylethyl)piperazine 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

3-[(4-methylpiperidin-1-yl)methyl]-1-(2-methylsulfonylethyl)piperidine
CID 122132509
1-(cyclopentylmethyl)-3-methylsulfonylpyrrolidine
CID 121183164
1-(2-methylsulfonylethyl)azepan-3-amine
CID 84686145
1-iodo-4-(2-methylsulfonylethyl)piperazine
CID 144963029
1-[(3aS,8aR)-6-(cyclopentylmethyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-2-yl]-3-methylsulfonylpropan-1-one
CID 155877701
1-tert-butyl-4-(cyclohexylmethyl)piperazine
CID 157130217
1-[1-(2-methylsulfonylethyl)piperidin-4-yl]ethanone
CID 63846320
1-(cyclopentylmethylsulfonyl)-4-(cyclopropylmethyl)piperazine
CID 131916970
1-(2-chloroethyl)-4-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine
CID 79622215
2-[4-(cyclobutylmethyl)piperazin-1-yl]ethanol
CID 65462860
N-(cyclohexylmethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]ethanamine
CID 62557787
1-(2-ethylsulfonylethyl)azocane
CID 167779827

Frequently Asked Questions

What is the IUPAC name of 1-(cycloheptylmethyl)-4-(2-methylsulfonylethyl)piperazine?
The IUPAC name of 1-(cycloheptylmethyl)-4-(2-methylsulfonylethyl)piperazine (CID 75507205) is 1-(cycloheptylmethyl)-4-(2-methylsulfonylethyl)piperazine.
What is the SMILES notation for 1-(cycloheptylmethyl)-4-(2-methylsulfonylethyl)piperazine?
The canonical SMILES for 1-(cycloheptylmethyl)-4-(2-methylsulfonylethyl)piperazine is CS(=O)(=O)CCN1CCN(CC2CCCCCC2)CC1.
What is the InChIKey of 1-(cycloheptylmethyl)-4-(2-methylsulfonylethyl)piperazine?
The InChIKey is VDZQVSYLCPNFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-20(18,19)13-12-16-8-10-17(11-9-16)14-15-6-4-2-3-5-7-15/h15H,2-14H2,1H3.
What are the key properties of 1-(cycloheptylmethyl)-4-(2-methylsulfonylethyl)piperazine?
1-(cycloheptylmethyl)-4-(2-methylsulfonylethyl)piperazine has a molecular weight of 302.48 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloheptylmethyl)-4-(2-methylsulfonylethyl)piperazine is sourced from PubChem (CID 75507205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).