2-butyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide

C19H31N3O2S — CID 51359854

IUPAC2-butyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
SMILESCCCCN1CC(N2CCN(Cc3cccc(C)c3)CC2)CS1(=O)=O
InChIInChI=1S/C19H31N3O2S/c1-3-4-8-22-15-19(16-25(22,23)24)21-11-9-20(10-12-21)14-18-7-5-6-17(2)13-18/h5-7,13,19H,3-4,8-12,14-16H2,1-2H3
InChIKeyYGXCAIYDRNCFME-UHFFFAOYSA-N
MW365.54 g/mol
LogP1.93
Rot. Bonds6

About 2-butyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide

2-butyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 51359854) has the molecular formula C19H31N3O2S and a molecular weight of 365.54 g/mol. Its IUPAC name is 2-butyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-butyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
PubChem CID51359854
Molecular FormulaC19H31N3O2S
Molecular Weight365.54 g/mol
Exact Mass365.21
IUPAC Name2-butyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
SMILESCCCCN1CC(N2CCN(Cc3cccc(C)c3)CC2)CS1(=O)=O
InChIInChI=1S/C19H31N3O2S/c1-3-4-8-22-15-19(16-25(22,23)24)21-11-9-20(10-12-21)14-18-7-5-6-17(2)13-18/h5-7,13,19H,3-4,8-12,14-16H2,1-2H3
InChIKeyYGXCAIYDRNCFME-UHFFFAOYSA-N
XLogP1.93
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-butyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide (CID 51359854) is 2-butyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-butyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-butyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide is CCCCN1CC(N2CCN(Cc3cccc(C)c3)CC2)CS1(=O)=O.
What is the InChIKey of 2-butyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is YGXCAIYDRNCFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2S/c1-3-4-8-22-15-19(16-25(22,23)24)21-11-9-20(10-12-21)14-18-7-5-6-17(2)13-18/h5-7,13,19H,3-4,8-12,14-16H2,1-2H3.
What are the key properties of 2-butyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
2-butyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 365.54 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51359854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).