2-[4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine

C17H28FN3O2S — CID 110290412

IUPAC2-[4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CC(C)N(CCN(C)C)C(C)C1
InChIInChI=1S/C17H28FN3O2S/c1-13-10-16(18)6-7-17(13)24(22,23)20-11-14(2)21(15(3)12-20)9-8-19(4)5/h6-7,10,14-15H,8-9,11-12H2,1-5H3
InChIKeySTRMJDAKARFEMO-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.78
Rot. Bonds5

About 2-[4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine

2-[4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 110290412) has the molecular formula C17H28FN3O2S and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-[4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine
PubChem CID110290412
Molecular FormulaC17H28FN3O2S
Molecular Weight357.50 g/mol
Exact Mass357.19
IUPAC Name2-[4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CC(C)N(CCN(C)C)C(C)C1
InChIInChI=1S/C17H28FN3O2S/c1-13-10-16(18)6-7-17(13)24(22,23)20-11-14(2)21(15(3)12-20)9-8-19(4)5/h6-7,10,14-15H,8-9,11-12H2,1-5H3
InChIKeySTRMJDAKARFEMO-UHFFFAOYSA-N
XLogP1.78
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylpiperazine
CID 110290267
1,4-bis[(4-fluoro-2-methylphenyl)sulfonyl]-1,4-diazepane
CID 52559280
2-[2,6-dimethyl-4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 110290431
6-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 110290439
5-[(dimethylamino)methyl]-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66051820
3-(cyclopropylmethoxy)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine
CID 121197715
1-(4-fluoro-2-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
CID 113072902
3-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine
CID 114801916
3-[4-(2-chlorophenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine
CID 110290579
1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine
CID 110738659
4-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)sulfonylaniline
CID 114542775
(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine
CID 93274616

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine (CID 110290412) is 2-[4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine is Cc1cc(F)ccc1S(=O)(=O)N1CC(C)N(CCN(C)C)C(C)C1.
What is the InChIKey of 2-[4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is STRMJDAKARFEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3O2S/c1-13-10-16(18)6-7-17(13)24(22,23)20-11-14(2)21(15(3)12-20)9-8-19(4)5/h6-7,10,14-15H,8-9,11-12H2,1-5H3.
What are the key properties of 2-[4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine?
2-[4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 357.50 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 110290412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).