2-(1-methylsulfanylpropan-2-yl)-6-propan-2-ylindolizine

C15H21NS — CID 167215110

IUPAC2-(1-methylsulfanylpropan-2-yl)-6-propan-2-ylindolizine
SMILESCSCC(C)c1cc2ccc(C(C)C)cn2c1
InChIInChI=1S/C15H21NS/c1-11(2)13-5-6-15-7-14(9-16(15)8-13)12(3)10-17-4/h5-9,11-12H,10H2,1-4H3
InChIKeyVTTCLBXUFNZZOV-UHFFFAOYSA-N
MW247.41 g/mol
LogP4.53
Rot. Bonds4

About 2-(1-methylsulfanylpropan-2-yl)-6-propan-2-ylindolizine

2-(1-methylsulfanylpropan-2-yl)-6-propan-2-ylindolizine (PubChem CID 167215110) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is 2-(1-methylsulfanylpropan-2-yl)-6-propan-2-ylindolizine.

Molecular Properties

Compound Name2-(1-methylsulfanylpropan-2-yl)-6-propan-2-ylindolizine
PubChem CID167215110
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name2-(1-methylsulfanylpropan-2-yl)-6-propan-2-ylindolizine
SMILESCSCC(C)c1cc2ccc(C(C)C)cn2c1
InChIInChI=1S/C15H21NS/c1-11(2)13-5-6-15-7-14(9-16(15)8-13)12(3)10-17-4/h5-9,11-12H,10H2,1-4H3
InChIKeyVTTCLBXUFNZZOV-UHFFFAOYSA-N
XLogP4.53
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(1-methylsulfanylpropan-2-yl)-6-propan-2-ylindolizine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfanylpropan-2-yl)-6-propan-2-ylindolizine?
The IUPAC name of 2-(1-methylsulfanylpropan-2-yl)-6-propan-2-ylindolizine (CID 167215110) is 2-(1-methylsulfanylpropan-2-yl)-6-propan-2-ylindolizine.
What is the SMILES notation for 2-(1-methylsulfanylpropan-2-yl)-6-propan-2-ylindolizine?
The canonical SMILES for 2-(1-methylsulfanylpropan-2-yl)-6-propan-2-ylindolizine is CSCC(C)c1cc2ccc(C(C)C)cn2c1.
What is the InChIKey of 2-(1-methylsulfanylpropan-2-yl)-6-propan-2-ylindolizine?
The InChIKey is VTTCLBXUFNZZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-11(2)13-5-6-15-7-14(9-16(15)8-13)12(3)10-17-4/h5-9,11-12H,10H2,1-4H3.
What are the key properties of 2-(1-methylsulfanylpropan-2-yl)-6-propan-2-ylindolizine?
2-(1-methylsulfanylpropan-2-yl)-6-propan-2-ylindolizine has a molecular weight of 247.41 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfanylpropan-2-yl)-6-propan-2-ylindolizine is sourced from PubChem (CID 167215110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).