N,3-dimethyl-1-(3-methylphenyl)sulfonylindolizin-2-amine

C17H18N2O2S — CID 123778165

IUPACN,3-dimethyl-1-(3-methylphenyl)sulfonylindolizin-2-amine
SMILESCNc1c(S(=O)(=O)c2cccc(C)c2)c2ccccn2c1C
InChIInChI=1S/C17H18N2O2S/c1-12-7-6-8-14(11-12)22(20,21)17-15-9-4-5-10-19(15)13(2)16(17)18-3/h4-11,18H,1-3H3
InChIKeyZXUQFJCVJYZUAH-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.43
Rot. Bonds3

About N,3-dimethyl-1-(3-methylphenyl)sulfonylindolizin-2-amine

N,3-dimethyl-1-(3-methylphenyl)sulfonylindolizin-2-amine (PubChem CID 123778165) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N,3-dimethyl-1-(3-methylphenyl)sulfonylindolizin-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(3-methylphenyl)sulfonylindolizin-2-amine
PubChem CID123778165
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN,3-dimethyl-1-(3-methylphenyl)sulfonylindolizin-2-amine
SMILESCNc1c(S(=O)(=O)c2cccc(C)c2)c2ccccn2c1C
InChIInChI=1S/C17H18N2O2S/c1-12-7-6-8-14(11-12)22(20,21)17-15-9-4-5-10-19(15)13(2)16(17)18-3/h4-11,18H,1-3H3
InChIKeyZXUQFJCVJYZUAH-UHFFFAOYSA-N
XLogP3.43
TPSA50.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(3-methylphenyl)sulfonylindolizin-2-amine?
The IUPAC name of N,3-dimethyl-1-(3-methylphenyl)sulfonylindolizin-2-amine (CID 123778165) is N,3-dimethyl-1-(3-methylphenyl)sulfonylindolizin-2-amine.
What is the SMILES notation for N,3-dimethyl-1-(3-methylphenyl)sulfonylindolizin-2-amine?
The canonical SMILES for N,3-dimethyl-1-(3-methylphenyl)sulfonylindolizin-2-amine is CNc1c(S(=O)(=O)c2cccc(C)c2)c2ccccn2c1C.
What is the InChIKey of N,3-dimethyl-1-(3-methylphenyl)sulfonylindolizin-2-amine?
The InChIKey is ZXUQFJCVJYZUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-12-7-6-8-14(11-12)22(20,21)17-15-9-4-5-10-19(15)13(2)16(17)18-3/h4-11,18H,1-3H3.
What are the key properties of N,3-dimethyl-1-(3-methylphenyl)sulfonylindolizin-2-amine?
N,3-dimethyl-1-(3-methylphenyl)sulfonylindolizin-2-amine has a molecular weight of 314.41 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(3-methylphenyl)sulfonylindolizin-2-amine is sourced from PubChem (CID 123778165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).