1-methyl-4-[2-methylsulfonyl-5-[(E)-prop-1-enyl]phenyl]piperazine

C15H22N2O2S — CID 145226299

IUPAC1-methyl-4-[2-methylsulfonyl-5-[(E)-prop-1-enyl]phenyl]piperazine
SMILESC/C=C/c1ccc(S(C)(=O)=O)c(N2CCN(C)CC2)c1
InChIInChI=1S/C15H22N2O2S/c1-4-5-13-6-7-15(20(3,18)19)14(12-13)17-10-8-16(2)9-11-17/h4-7,12H,8-11H2,1-3H3/b5-4+
InChIKeyTZRXXRPTVXYWDN-SNAWJCMRSA-N
MW294.42 g/mol
LogP1.88
Rot. Bonds3

About 1-methyl-4-[2-methylsulfonyl-5-[(E)-prop-1-enyl]phenyl]piperazine

1-methyl-4-[2-methylsulfonyl-5-[(E)-prop-1-enyl]phenyl]piperazine (PubChem CID 145226299) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-methyl-4-[2-methylsulfonyl-5-[(E)-prop-1-enyl]phenyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-methylsulfonyl-5-[(E)-prop-1-enyl]phenyl]piperazine
PubChem CID145226299
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-methyl-4-[2-methylsulfonyl-5-[(E)-prop-1-enyl]phenyl]piperazine
SMILESC/C=C/c1ccc(S(C)(=O)=O)c(N2CCN(C)CC2)c1
InChIInChI=1S/C15H22N2O2S/c1-4-5-13-6-7-15(20(3,18)19)14(12-13)17-10-8-16(2)9-11-17/h4-7,12H,8-11H2,1-3H3/b5-4+
InChIKeyTZRXXRPTVXYWDN-SNAWJCMRSA-N
XLogP1.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-methylsulfonyl-5-[(E)-prop-1-enyl]phenyl]piperazine?
The IUPAC name of 1-methyl-4-[2-methylsulfonyl-5-[(E)-prop-1-enyl]phenyl]piperazine (CID 145226299) is 1-methyl-4-[2-methylsulfonyl-5-[(E)-prop-1-enyl]phenyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-methylsulfonyl-5-[(E)-prop-1-enyl]phenyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-methylsulfonyl-5-[(E)-prop-1-enyl]phenyl]piperazine is C/C=C/c1ccc(S(C)(=O)=O)c(N2CCN(C)CC2)c1.
What is the InChIKey of 1-methyl-4-[2-methylsulfonyl-5-[(E)-prop-1-enyl]phenyl]piperazine?
The InChIKey is TZRXXRPTVXYWDN-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-4-5-13-6-7-15(20(3,18)19)14(12-13)17-10-8-16(2)9-11-17/h4-7,12H,8-11H2,1-3H3/b5-4+.
What are the key properties of 1-methyl-4-[2-methylsulfonyl-5-[(E)-prop-1-enyl]phenyl]piperazine?
1-methyl-4-[2-methylsulfonyl-5-[(E)-prop-1-enyl]phenyl]piperazine has a molecular weight of 294.42 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-methylsulfonyl-5-[(E)-prop-1-enyl]phenyl]piperazine is sourced from PubChem (CID 145226299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).