3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropan-1-amine

C16H26FN3O2S — CID 113073853

IUPAC3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCc1cc(S(=O)(=O)N2CCN(CCCN(C)C)CC2)ccc1F
InChIInChI=1S/C16H26FN3O2S/c1-14-13-15(5-6-16(14)17)23(21,22)20-11-9-19(10-12-20)8-4-7-18(2)3/h5-6,13H,4,7-12H2,1-3H3
InChIKeyIIIDJRSDFJTWQD-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.39
Rot. Bonds6

About 3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropan-1-amine

3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 113073853) has the molecular formula C16H26FN3O2S and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID113073853
Molecular FormulaC16H26FN3O2S
Molecular Weight343.47 g/mol
Exact Mass343.17
IUPAC Name3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCc1cc(S(=O)(=O)N2CCN(CCCN(C)C)CC2)ccc1F
InChIInChI=1S/C16H26FN3O2S/c1-14-13-15(5-6-16(14)17)23(21,22)20-11-9-19(10-12-20)8-4-7-18(2)3/h5-6,13H,4,7-12H2,1-3H3
InChIKeyIIIDJRSDFJTWQD-UHFFFAOYSA-N
XLogP1.39
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine
CID 43845541
1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 110868573
1-(4-fluoro-3-methylphenyl)sulfonyl-N,N,3-trimethylpyrrolidin-3-amine
CID 136574383
3-[4-(4-bromo-2-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropan-1-amine
CID 175885008
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylethanamine
CID 113073624
1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine
CID 113076680
2-chloro-1-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 28705564
2-[[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 110395948
1-(2-chloroethyl)-4-(3,4-difluorophenyl)sulfonylpiperazine
CID 63397139
methyl 4-(4-fluoro-3-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818499
1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978268
1-(4-fluoro-3-methylphenyl)sulfonyl-4-[(2R)-1-methoxypropan-2-yl]piperazine
CID 95635970

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropan-1-amine (CID 113073853) is 3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropan-1-amine is Cc1cc(S(=O)(=O)N2CCN(CCCN(C)C)CC2)ccc1F.
What is the InChIKey of 3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is IIIDJRSDFJTWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O2S/c1-14-13-15(5-6-16(14)17)23(21,22)20-11-9-19(10-12-20)8-4-7-18(2)3/h5-6,13H,4,7-12H2,1-3H3.
What are the key properties of 3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropan-1-amine?
3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 343.47 g/mol, XLogP of 1.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 113073853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).