1-[[4-(2-methylsulfonylethyl)phenyl]methyl]piperazine

C14H22N2O2S — CID 117111643

IUPAC1-[[4-(2-methylsulfonylethyl)phenyl]methyl]piperazine
SMILESCS(=O)(=O)CCc1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-19(17,18)11-6-13-2-4-14(5-3-13)12-16-9-7-15-8-10-16/h2-5,15H,6-12H2,1H3
InChIKeyLNLMSXYXZUIIQK-UHFFFAOYSA-N
MW282.41 g/mol
LogP0.68
Rot. Bonds5

About 1-[[4-(2-methylsulfonylethyl)phenyl]methyl]piperazine

1-[[4-(2-methylsulfonylethyl)phenyl]methyl]piperazine (PubChem CID 117111643) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-[[4-(2-methylsulfonylethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[4-(2-methylsulfonylethyl)phenyl]methyl]piperazine
PubChem CID117111643
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-[[4-(2-methylsulfonylethyl)phenyl]methyl]piperazine
SMILESCS(=O)(=O)CCc1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-19(17,18)11-6-13-2-4-14(5-3-13)12-16-9-7-15-8-10-16/h2-5,15H,6-12H2,1H3
InChIKeyLNLMSXYXZUIIQK-UHFFFAOYSA-N
XLogP0.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]methyl]piperazine
CID 117111656
3-[4-(piperazin-1-ylmethyl)phenyl]propanal
CID 117336777
1-[(4-propylphenyl)methyl]-1,4-diazepane
CID 82128938
4-[4-(piperazin-1-ylmethyl)phenyl]butan-2-ol
CID 117111640
[4-(piperazin-1-ylmethyl)phenyl]phosphane
CID 21334669
1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine
CID 117368978
1-[[4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 12979841
1,4-bis[(4-tert-butylphenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 11328765
propane;1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 177343128
4-(1,4-diazepan-1-ylmethyl)aniline
CID 82162727
1-[[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]methyl]piperazine
CID 117111637
1-methyl-4-[4-(piperazin-1-ylmethyl)phenyl]piperazine-2,5-dione
CID 117487291

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-methylsulfonylethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[[4-(2-methylsulfonylethyl)phenyl]methyl]piperazine (CID 117111643) is 1-[[4-(2-methylsulfonylethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[4-(2-methylsulfonylethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[4-(2-methylsulfonylethyl)phenyl]methyl]piperazine is CS(=O)(=O)CCc1ccc(CN2CCNCC2)cc1.
What is the InChIKey of 1-[[4-(2-methylsulfonylethyl)phenyl]methyl]piperazine?
The InChIKey is LNLMSXYXZUIIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-19(17,18)11-6-13-2-4-14(5-3-13)12-16-9-7-15-8-10-16/h2-5,15H,6-12H2,1H3.
What are the key properties of 1-[[4-(2-methylsulfonylethyl)phenyl]methyl]piperazine?
1-[[4-(2-methylsulfonylethyl)phenyl]methyl]piperazine has a molecular weight of 282.41 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-methylsulfonylethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 117111643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).