2-butyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide

C12H25N3O2S — CID 51360718

IUPAC2-butyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCCCCN1CC(N2CCN(C)CC2)CS1(=O)=O
InChIInChI=1S/C12H25N3O2S/c1-3-4-5-15-10-12(11-18(15,16)17)14-8-6-13(2)7-9-14/h12H,3-11H2,1-2H3
InChIKeyNISPFBUWRMAQPD-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.05
Rot. Bonds4

About 2-butyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide

2-butyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 51360718) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-butyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-butyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
PubChem CID51360718
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name2-butyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCCCCN1CC(N2CCN(C)CC2)CS1(=O)=O
InChIInChI=1S/C12H25N3O2S/c1-3-4-5-15-10-12(11-18(15,16)17)14-8-6-13(2)7-9-14/h12H,3-11H2,1-2H3
InChIKeyNISPFBUWRMAQPD-UHFFFAOYSA-N
XLogP0.05
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.05
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-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-butyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide (CID 51360718) is 2-butyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-butyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-butyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide is CCCCN1CC(N2CCN(C)CC2)CS1(=O)=O.
What is the InChIKey of 2-butyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is NISPFBUWRMAQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-3-4-5-15-10-12(11-18(15,16)17)14-8-6-13(2)7-9-14/h12H,3-11H2,1-2H3.
What are the key properties of 2-butyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide?
2-butyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 275.42 g/mol, XLogP of 0.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51360718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).