(2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine

C12H18N2O2S — CID 82755571

IUPAC(2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine
SMILESCc1cccc(S(=O)(=O)N2CCNC[C@@H]2C)c1
InChIInChI=1S/C12H18N2O2S/c1-10-4-3-5-12(8-10)17(15,16)14-7-6-13-9-11(14)2/h3-5,8,11,13H,6-7,9H2,1-2H3/t11-/m0/s1
InChIKeyNJLGPPKDAPGRHJ-NSHDSACASA-N
MW254.35 g/mol
LogP0.98
Rot. Bonds2

About (2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine

(2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine (PubChem CID 82755571) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is (2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name(2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine
PubChem CID82755571
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name(2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine
SMILESCc1cccc(S(=O)(=O)N2CCNC[C@@H]2C)c1
InChIInChI=1S/C12H18N2O2S/c1-10-4-3-5-12(8-10)17(15,16)14-7-6-13-9-11(14)2/h3-5,8,11,13H,6-7,9H2,1-2H3/t11-/m0/s1
InChIKeyNJLGPPKDAPGRHJ-NSHDSACASA-N
XLogP0.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(3-chlorophenyl)sulfonyl-2-methylpiperazine
CID 82755471
(2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716906
2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119969701
2-methyl-1-(3-nitrophenyl)sulfonylpiperazine
CID 62672435
methyl 3-(2-methylpiperazin-1-yl)sulfonylbenzoate
CID 62673312
N,N-dimethyl-3-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119969871
1-(3-bromo-5-methylphenyl)sulfonyl-2-methylpiperazine
CID 120708117
(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716815
(2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine
CID 82755760
2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110728239
2,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine
CID 64979870
1-(2-fluoro-5-methylphenyl)sulfonyl-2-methylpiperazine
CID 62673310

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine?
The IUPAC name of (2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine (CID 82755571) is (2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for (2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine?
The canonical SMILES for (2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine is Cc1cccc(S(=O)(=O)N2CCNC[C@@H]2C)c1.
What is the InChIKey of (2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine?
The InChIKey is NJLGPPKDAPGRHJ-NSHDSACASA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-10-4-3-5-12(8-10)17(15,16)14-7-6-13-9-11(14)2/h3-5,8,11,13H,6-7,9H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine?
(2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine has a molecular weight of 254.35 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 82755571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).