N-[(2,3-dimethyl-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-2-methylpropan-2-amine

C19H27NSSi — CID 140787559

IUPACN-[(2,3-dimethyl-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-2-methylpropan-2-amine
SMILESCC1=C(C)C([Si](C)(C)NC(C)(C)C)c2c1sc1ccccc21
InChIInChI=1S/C19H27NSSi/c1-12-13(2)18(22(6,7)20-19(3,4)5)16-14-10-8-9-11-15(14)21-17(12)16/h8-11,18,20H,1-7H3
InChIKeyBZGBSAFSHPNJAG-UHFFFAOYSA-N
MW329.58 g/mol
LogP5.92
Rot. Bonds2

About N-[(2,3-dimethyl-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-2-methylpropan-2-amine

N-[(2,3-dimethyl-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-2-methylpropan-2-amine (PubChem CID 140787559) has the molecular formula C19H27NSSi and a molecular weight of 329.58 g/mol. Its IUPAC name is N-[(2,3-dimethyl-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2,3-dimethyl-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-2-methylpropan-2-amine
PubChem CID140787559
Molecular FormulaC19H27NSSi
Molecular Weight329.58 g/mol
Exact Mass329.16
IUPAC NameN-[(2,3-dimethyl-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-2-methylpropan-2-amine
SMILESCC1=C(C)C([Si](C)(C)NC(C)(C)C)c2c1sc1ccccc21
InChIInChI=1S/C19H27NSSi/c1-12-13(2)18(22(6,7)20-19(3,4)5)16-14-10-8-9-11-15(14)21-17(12)16/h8-11,18,20H,1-7H3
InChIKeyBZGBSAFSHPNJAG-UHFFFAOYSA-N
XLogP5.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.58
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethyl-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2,3-dimethyl-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-2-methylpropan-2-amine (CID 140787559) is N-[(2,3-dimethyl-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2,3-dimethyl-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2,3-dimethyl-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-2-methylpropan-2-amine is CC1=C(C)C([Si](C)(C)NC(C)(C)C)c2c1sc1ccccc21.
What is the InChIKey of N-[(2,3-dimethyl-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-2-methylpropan-2-amine?
The InChIKey is BZGBSAFSHPNJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NSSi/c1-12-13(2)18(22(6,7)20-19(3,4)5)16-14-10-8-9-11-15(14)21-17(12)16/h8-11,18,20H,1-7H3.
What are the key properties of N-[(2,3-dimethyl-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-2-methylpropan-2-amine?
N-[(2,3-dimethyl-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-2-methylpropan-2-amine has a molecular weight of 329.58 g/mol, XLogP of 5.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethyl-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-2-methylpropan-2-amine is sourced from PubChem (CID 140787559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).