1-[2-(3-methylphenyl)sulfinylphenyl]piperazine

C17H20N2OS — CID 151995054

IUPAC1-[2-(3-methylphenyl)sulfinylphenyl]piperazine
SMILESCc1cccc(S(=O)c2ccccc2N2CCNCC2)c1
InChIInChI=1S/C17H20N2OS/c1-14-5-4-6-15(13-14)21(20)17-8-3-2-7-16(17)19-11-9-18-10-12-19/h2-8,13,18H,9-12H2,1H3
InChIKeyUFMHQHSZLICCJR-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.57
Rot. Bonds3

About 1-[2-(3-methylphenyl)sulfinylphenyl]piperazine

1-[2-(3-methylphenyl)sulfinylphenyl]piperazine (PubChem CID 151995054) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-[2-(3-methylphenyl)sulfinylphenyl]piperazine.

Molecular Properties

Compound Name1-[2-(3-methylphenyl)sulfinylphenyl]piperazine
PubChem CID151995054
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name1-[2-(3-methylphenyl)sulfinylphenyl]piperazine
SMILESCc1cccc(S(=O)c2ccccc2N2CCNCC2)c1
InChIInChI=1S/C17H20N2OS/c1-14-5-4-6-15(13-14)21(20)17-8-3-2-7-16(17)19-11-9-18-10-12-19/h2-8,13,18H,9-12H2,1H3
InChIKeyUFMHQHSZLICCJR-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,6-dimethylphenyl)sulfinylphenyl]piperazine
CID 151229495
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
3-(benzenesulfinyl)-8-piperazin-1-ylquinoline
CID 145405985
4-methyl-2-piperazin-1-ylbenzenesulfonic acid
CID 86209737
1-[2-[(2,4-dimethylphenyl)methyl]phenyl]-4-[2-(2,4-dimethylphenyl)sulfinylphenyl]piperazine
CID 151384985
1-[2-(2,4-dimethylphenyl)sulfinylphenyl]-4-(2-methylpropyl)piperazine
CID 174898006
5-methyl-2-piperazin-1-ylaniline
CID 62137468
calcium;hydride;5-methyl-2-piperazin-1-ylbenzenesulfonic acid
CID 173090379
1-[(S)-(3-methylphenyl)-phenylmethyl]piperazine
CID 92754605
2-methylsulfanyl-6-piperazin-1-ylbenzaldehyde
CID 157268238
1-(2-chlorophenyl)piperazine
CID 162116490
4,5-dimethyl-2-piperazin-1-ylphenol
CID 82610692

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenyl)sulfinylphenyl]piperazine?
The IUPAC name of 1-[2-(3-methylphenyl)sulfinylphenyl]piperazine (CID 151995054) is 1-[2-(3-methylphenyl)sulfinylphenyl]piperazine.
What is the SMILES notation for 1-[2-(3-methylphenyl)sulfinylphenyl]piperazine?
The canonical SMILES for 1-[2-(3-methylphenyl)sulfinylphenyl]piperazine is Cc1cccc(S(=O)c2ccccc2N2CCNCC2)c1.
What is the InChIKey of 1-[2-(3-methylphenyl)sulfinylphenyl]piperazine?
The InChIKey is UFMHQHSZLICCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-14-5-4-6-15(13-14)21(20)17-8-3-2-7-16(17)19-11-9-18-10-12-19/h2-8,13,18H,9-12H2,1H3.
What are the key properties of 1-[2-(3-methylphenyl)sulfinylphenyl]piperazine?
1-[2-(3-methylphenyl)sulfinylphenyl]piperazine has a molecular weight of 300.43 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenyl)sulfinylphenyl]piperazine is sourced from PubChem (CID 151995054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).