1-(3-fluorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine

C14H22FN3O2S — CID 62993250

IUPAC1-(3-fluorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
SMILESCC(N)C(c1cccc(F)c1)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H22FN3O2S/c1-11(16)14(12-4-3-5-13(15)10-12)17-6-8-18(9-7-17)21(2,19)20/h3-5,10-11,14H,6-9,16H2,1-2H3
InChIKeyDNYGTJRBAAYJLW-UHFFFAOYSA-N
MW315.41 g/mol
LogP0.79
Rot. Bonds4

About 1-(3-fluorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine

1-(3-fluorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine (PubChem CID 62993250) has the molecular formula C14H22FN3O2S and a molecular weight of 315.41 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
PubChem CID62993250
Molecular FormulaC14H22FN3O2S
Molecular Weight315.41 g/mol
Exact Mass315.14
IUPAC Name1-(3-fluorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
SMILESCC(N)C(c1cccc(F)c1)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H22FN3O2S/c1-11(16)14(12-4-3-5-13(15)10-12)17-6-8-18(9-7-17)21(2,19)20/h3-5,10-11,14H,6-9,16H2,1-2H3
InChIKeyDNYGTJRBAAYJLW-UHFFFAOYSA-N
XLogP0.79
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-fluorophenyl)propan-2-amine
CID 55020486
2-(3,5-difluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 106528646
1-(4-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine
CID 107520960
1-[4-(3-fluorophenyl)butan-2-yl]-4-methylsulfonyl-1,4-diazepane
CID 86787373
1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
CID 51966767
1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-2-amine
CID 63216311
1-(3-fluorophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-2-amine
CID 64570224
1-(3-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-2-amine
CID 55020487
1-(3-fluorophenyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 79610680
1-(3-fluorophenyl)ethanesulfonamide
CID 62085639
[4-[2-amino-1-(3-fluorophenyl)propyl]morpholin-2-yl]methanol
CID 81205350
(3R)-3-(3-fluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propanal
CID 59780705

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine (CID 62993250) is 1-(3-fluorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine is CC(N)C(c1cccc(F)c1)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine?
The InChIKey is DNYGTJRBAAYJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2S/c1-11(16)14(12-4-3-5-13(15)10-12)17-6-8-18(9-7-17)21(2,19)20/h3-5,10-11,14H,6-9,16H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine?
1-(3-fluorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine has a molecular weight of 315.41 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 62993250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).