4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide

C18H26FN3O2S — CID 51360643

IUPAC4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCN(CC3CC3)CC2)CN1Cc1ccc(F)cc1
InChIInChI=1S/C18H26FN3O2S/c19-17-5-3-16(4-6-17)12-22-13-18(14-25(22,23)24)21-9-7-20(8-10-21)11-15-1-2-15/h3-6,15,18H,1-2,7-14H2
InChIKeyYSNHSRMRPGCCRO-UHFFFAOYSA-N
MW367.49 g/mol
LogP1.37
Rot. Bonds5

About 4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide

4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 51360643) has the molecular formula C18H26FN3O2S and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID51360643
Molecular FormulaC18H26FN3O2S
Molecular Weight367.49 g/mol
Exact Mass367.17
IUPAC Name4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCN(CC3CC3)CC2)CN1Cc1ccc(F)cc1
InChIInChI=1S/C18H26FN3O2S/c19-17-5-3-16(4-6-17)12-22-13-18(14-25(22,23)24)21-9-7-20(8-10-21)11-15-1-2-15/h3-6,15,18H,1-2,7-14H2
InChIKeyYSNHSRMRPGCCRO-UHFFFAOYSA-N
XLogP1.37
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide with MolForge

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Related Compounds

(E)-1-benzyl-4-(styrylsulfonyl)piperazine
CID 882298
1-Benzyl-4-(benzylsulfonyl)piperazine
CID 669283
1-Benzylsulfonyl-4-[(3-fluorophenyl)methyl]piperazine
CID 9443040
N-[2-(2-Fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-methanesulfonamide
CID 44404538
N-Ethyl-N-[2-(2-fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-methanesulfonamide
CID 44404543
2-[4-(2-Benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]ethanol
CID 51359863
2-Benzyl-4-(4-hexylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 51359867
2-Cyclohexyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
CID 51359910
2-[(4-Fluorophenyl)methyl]-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
CID 51360637
4-[4-[(3-Methylphenyl)methyl]piperazin-1-yl]-2-(2-phenylethyl)-1,2-thiazolidine 1,1-dioxide
CID 51360659
1-Benzyl-4-(2-phenylethylsulfonyl)piperazine
CID 71699221
4-(Phenylmethyl)-1-piperazinepropanesulfonic acid
CID 211441

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide (CID 51360643) is 4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CC(N2CCN(CC3CC3)CC2)CN1Cc1ccc(F)cc1.
What is the InChIKey of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is YSNHSRMRPGCCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2S/c19-17-5-3-16(4-6-17)12-22-13-18(14-25(22,23)24)21-9-7-20(8-10-21)11-15-1-2-15/h3-6,15,18H,1-2,7-14H2.
What are the key properties of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide?
4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 367.49 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51360643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).