N,N-diethyl-1-[2-(3-fluorophenyl)sulfonyl-1,3-dihydroisoindol-4-yl]piperidin-4-amine

C23H30FN3O2S — CID 142592198

IUPACN,N-diethyl-1-[2-(3-fluorophenyl)sulfonyl-1,3-dihydroisoindol-4-yl]piperidin-4-amine
SMILESCCN(CC)C1CCN(c2cccc3c2CN(S(=O)(=O)c2cccc(F)c2)C3)CC1
InChIInChI=1S/C23H30FN3O2S/c1-3-25(4-2)20-11-13-26(14-12-20)23-10-5-7-18-16-27(17-22(18)23)30(28,29)21-9-6-8-19(24)15-21/h5-10,15,20H,3-4,11-14,16-17H2,1-2H3
InChIKeyCVVCXDWVGORKOX-UHFFFAOYSA-N
MW431.58 g/mol
LogP3.84
Rot. Bonds6

About N,N-diethyl-1-[2-(3-fluorophenyl)sulfonyl-1,3-dihydroisoindol-4-yl]piperidin-4-amine

N,N-diethyl-1-[2-(3-fluorophenyl)sulfonyl-1,3-dihydroisoindol-4-yl]piperidin-4-amine (PubChem CID 142592198) has the molecular formula C23H30FN3O2S and a molecular weight of 431.58 g/mol. Its IUPAC name is N,N-diethyl-1-[2-(3-fluorophenyl)sulfonyl-1,3-dihydroisoindol-4-yl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[2-(3-fluorophenyl)sulfonyl-1,3-dihydroisoindol-4-yl]piperidin-4-amine
PubChem CID142592198
Molecular FormulaC23H30FN3O2S
Molecular Weight431.58 g/mol
Exact Mass431.20
IUPAC NameN,N-diethyl-1-[2-(3-fluorophenyl)sulfonyl-1,3-dihydroisoindol-4-yl]piperidin-4-amine
SMILESCCN(CC)C1CCN(c2cccc3c2CN(S(=O)(=O)c2cccc(F)c2)C3)CC1
InChIInChI=1S/C23H30FN3O2S/c1-3-25(4-2)20-11-13-26(14-12-20)23-10-5-7-18-16-27(17-22(18)23)30(28,29)21-9-6-8-19(24)15-21/h5-10,15,20H,3-4,11-14,16-17H2,1-2H3
InChIKeyCVVCXDWVGORKOX-UHFFFAOYSA-N
XLogP3.84
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-1-[2-(3-fluorophenyl)sulfonyl-1,3-dihydroisoindol-4-yl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methylpiperazin-1-yl)-2-pyridin-3-ylsulfonyl-1,3-dihydroisoindole
CID 142592094
6-(3-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 90585442
4-(3-fluorophenyl)sulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97468902
1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585208
(3aS,7aR)-2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7911427
N,N-diethyl-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 23992171
1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 16775048
N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide
CID 91906159
3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-methylpyrrolidin-2-one
CID 91913082
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]methanone
CID 4805729
3-(chloromethyl)-1-(3-fluorophenyl)sulfonylpyrrolidine
CID 63400843
2-cyclopentyl-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 9369541

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[2-(3-fluorophenyl)sulfonyl-1,3-dihydroisoindol-4-yl]piperidin-4-amine?
The IUPAC name of N,N-diethyl-1-[2-(3-fluorophenyl)sulfonyl-1,3-dihydroisoindol-4-yl]piperidin-4-amine (CID 142592198) is N,N-diethyl-1-[2-(3-fluorophenyl)sulfonyl-1,3-dihydroisoindol-4-yl]piperidin-4-amine.
What is the SMILES notation for N,N-diethyl-1-[2-(3-fluorophenyl)sulfonyl-1,3-dihydroisoindol-4-yl]piperidin-4-amine?
The canonical SMILES for N,N-diethyl-1-[2-(3-fluorophenyl)sulfonyl-1,3-dihydroisoindol-4-yl]piperidin-4-amine is CCN(CC)C1CCN(c2cccc3c2CN(S(=O)(=O)c2cccc(F)c2)C3)CC1.
What is the InChIKey of N,N-diethyl-1-[2-(3-fluorophenyl)sulfonyl-1,3-dihydroisoindol-4-yl]piperidin-4-amine?
The InChIKey is CVVCXDWVGORKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O2S/c1-3-25(4-2)20-11-13-26(14-12-20)23-10-5-7-18-16-27(17-22(18)23)30(28,29)21-9-6-8-19(24)15-21/h5-10,15,20H,3-4,11-14,16-17H2,1-2H3.
What are the key properties of N,N-diethyl-1-[2-(3-fluorophenyl)sulfonyl-1,3-dihydroisoindol-4-yl]piperidin-4-amine?
N,N-diethyl-1-[2-(3-fluorophenyl)sulfonyl-1,3-dihydroisoindol-4-yl]piperidin-4-amine has a molecular weight of 431.58 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[2-(3-fluorophenyl)sulfonyl-1,3-dihydroisoindol-4-yl]piperidin-4-amine is sourced from PubChem (CID 142592198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).