2-methyl-1'-propylspiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide

C14H20N2O2S — CID 118742984

IUPAC2-methyl-1'-propylspiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide
SMILESCCCN1CCC2(C1)c1ccccc1S(=O)(=O)N2C
InChIInChI=1S/C14H20N2O2S/c1-3-9-16-10-8-14(11-16)12-6-4-5-7-13(12)19(17,18)15(14)2/h4-7H,3,8-11H2,1-2H3
InChIKeyYFZBZZWGFWAQQJ-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.63
Rot. Bonds2

About 2-methyl-1'-propylspiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide

2-methyl-1'-propylspiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide (PubChem CID 118742984) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-methyl-1'-propylspiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide.

Molecular Properties

Compound Name2-methyl-1'-propylspiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide
PubChem CID118742984
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-methyl-1'-propylspiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide
SMILESCCCN1CCC2(C1)c1ccccc1S(=O)(=O)N2C
InChIInChI=1S/C14H20N2O2S/c1-3-9-16-10-8-14(11-16)12-6-4-5-7-13(12)19(17,18)15(14)2/h4-7H,3,8-11H2,1-2H3
InChIKeyYFZBZZWGFWAQQJ-UHFFFAOYSA-N
XLogP1.63
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1'-propylspiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide?
The IUPAC name of 2-methyl-1'-propylspiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide (CID 118742984) is 2-methyl-1'-propylspiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide.
What is the SMILES notation for 2-methyl-1'-propylspiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide?
The canonical SMILES for 2-methyl-1'-propylspiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide is CCCN1CCC2(C1)c1ccccc1S(=O)(=O)N2C.
What is the InChIKey of 2-methyl-1'-propylspiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide?
The InChIKey is YFZBZZWGFWAQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-9-16-10-8-14(11-16)12-6-4-5-7-13(12)19(17,18)15(14)2/h4-7H,3,8-11H2,1-2H3.
What are the key properties of 2-methyl-1'-propylspiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide?
2-methyl-1'-propylspiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide has a molecular weight of 280.39 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1'-propylspiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide is sourced from PubChem (CID 118742984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).