1-(2-methylsulfonylphenyl)-4-[(3S)-oxolan-3-yl]piperazine

C15H22N2O3S — CID 97242174

IUPAC1-(2-methylsulfonylphenyl)-4-[(3S)-oxolan-3-yl]piperazine
SMILESCS(=O)(=O)c1ccccc1N1CCN([C@H]2CCOC2)CC1
InChIInChI=1S/C15H22N2O3S/c1-21(18,19)15-5-3-2-4-14(15)17-9-7-16(8-10-17)13-6-11-20-12-13/h2-5,13H,6-12H2,1H3/t13-/m0/s1
InChIKeyMJVAHNIKCJZZCO-ZDUSSCGKSA-N
MW310.42 g/mol
LogP1.00
Rot. Bonds3

About 1-(2-methylsulfonylphenyl)-4-[(3S)-oxolan-3-yl]piperazine

1-(2-methylsulfonylphenyl)-4-[(3S)-oxolan-3-yl]piperazine (PubChem CID 97242174) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-(2-methylsulfonylphenyl)-4-[(3S)-oxolan-3-yl]piperazine.

Molecular Properties

Compound Name1-(2-methylsulfonylphenyl)-4-[(3S)-oxolan-3-yl]piperazine
PubChem CID97242174
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-(2-methylsulfonylphenyl)-4-[(3S)-oxolan-3-yl]piperazine
SMILESCS(=O)(=O)c1ccccc1N1CCN([C@H]2CCOC2)CC1
InChIInChI=1S/C15H22N2O3S/c1-21(18,19)15-5-3-2-4-14(15)17-9-7-16(8-10-17)13-6-11-20-12-13/h2-5,13H,6-12H2,1H3/t13-/m0/s1
InChIKeyMJVAHNIKCJZZCO-ZDUSSCGKSA-N
XLogP1.00
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylphenyl)-4-[(3S)-oxolan-3-yl]piperazine?
The IUPAC name of 1-(2-methylsulfonylphenyl)-4-[(3S)-oxolan-3-yl]piperazine (CID 97242174) is 1-(2-methylsulfonylphenyl)-4-[(3S)-oxolan-3-yl]piperazine.
What is the SMILES notation for 1-(2-methylsulfonylphenyl)-4-[(3S)-oxolan-3-yl]piperazine?
The canonical SMILES for 1-(2-methylsulfonylphenyl)-4-[(3S)-oxolan-3-yl]piperazine is CS(=O)(=O)c1ccccc1N1CCN([C@H]2CCOC2)CC1.
What is the InChIKey of 1-(2-methylsulfonylphenyl)-4-[(3S)-oxolan-3-yl]piperazine?
The InChIKey is MJVAHNIKCJZZCO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-21(18,19)15-5-3-2-4-14(15)17-9-7-16(8-10-17)13-6-11-20-12-13/h2-5,13H,6-12H2,1H3/t13-/m0/s1.
What are the key properties of 1-(2-methylsulfonylphenyl)-4-[(3S)-oxolan-3-yl]piperazine?
1-(2-methylsulfonylphenyl)-4-[(3S)-oxolan-3-yl]piperazine has a molecular weight of 310.42 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylphenyl)-4-[(3S)-oxolan-3-yl]piperazine is sourced from PubChem (CID 97242174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).