N-[(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-2,4,4-trimethylpentan-2-amine

C27H37NSSi — CID 140821270

IUPACN-[(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-2,4,4-trimethylpentan-2-amine
SMILESCC1=C(C)C([Si](C)(C)NC(C)(C)CC(C)(C)C)c2ccc3sc4ccccc4c3c21
InChIInChI=1S/C27H37NSSi/c1-17-18(2)25(30(8,9)28-27(6,7)16-26(3,4)5)20-14-15-22-24(23(17)20)19-12-10-11-13-21(19)29-22/h10-15,25,28H,16H2,1-9H3
InChIKeyRHDIYRFOMGOLGB-UHFFFAOYSA-N
MW435.75 g/mol
LogP8.49
Rot. Bonds4

About N-[(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-2,4,4-trimethylpentan-2-amine

N-[(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-2,4,4-trimethylpentan-2-amine (PubChem CID 140821270) has the molecular formula C27H37NSSi and a molecular weight of 435.75 g/mol. Its IUPAC name is N-[(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-2,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN-[(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-2,4,4-trimethylpentan-2-amine
PubChem CID140821270
Molecular FormulaC27H37NSSi
Molecular Weight435.75 g/mol
Exact Mass435.24
IUPAC NameN-[(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-2,4,4-trimethylpentan-2-amine
SMILESCC1=C(C)C([Si](C)(C)NC(C)(C)CC(C)(C)C)c2ccc3sc4ccccc4c3c21
InChIInChI=1S/C27H37NSSi/c1-17-18(2)25(30(8,9)28-27(6,7)16-26(3,4)5)20-14-15-22-24(23(17)20)19-12-10-11-13-21(19)29-22/h10-15,25,28H,16H2,1-9H3
InChIKeyRHDIYRFOMGOLGB-UHFFFAOYSA-N
XLogP8.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.75
LogP ≤ 58.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-2,4,4-trimethylpentan-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

chloro-(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethyl-λ4-sulfane
CID 139387802
chloro-(1,2-dimethyl-3H-cyclopenta[b][1]benzothiol-3-yl)-dimethylsilane
CID 142744406
1-(2,2-dimethylpropyl)dibenzothiophene
CID 139500455
1-methyldibenzothiophene
CID 23839
N-[(1,2-dimethyl-3H-cyclopenta[b][1]benzothiol-3-yl)-methyl-(2,4,6-trimethylphenyl)silyl]-2-methylpropan-2-amine
CID 147312660
3-[amino(dimethyl)silyl]-1,2-dimethyl-3H-cyclopenta[b][1]benzothiole;carbanide;titanium(2+)
CID 175015021
1-[4-(2,2-dimethylpropyl)phenyl]dibenzothiophene
CID 154989327
1-(2-hydroxydibenzothiophen-1-yl)dibenzothiophen-2-ol
CID 142742371
14-tert-butyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 129035064
3-(10-naphthalen-1-ylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran
CID 176743760
CID 163829331
CID 163829331
1-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene
CID 59195925

Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-2,4,4-trimethylpentan-2-amine?
The IUPAC name of N-[(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-2,4,4-trimethylpentan-2-amine (CID 140821270) is N-[(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-2,4,4-trimethylpentan-2-amine.
What is the SMILES notation for N-[(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-2,4,4-trimethylpentan-2-amine?
The canonical SMILES for N-[(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-2,4,4-trimethylpentan-2-amine is CC1=C(C)C([Si](C)(C)NC(C)(C)CC(C)(C)C)c2ccc3sc4ccccc4c3c21.
What is the InChIKey of N-[(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-2,4,4-trimethylpentan-2-amine?
The InChIKey is RHDIYRFOMGOLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37NSSi/c1-17-18(2)25(30(8,9)28-27(6,7)16-26(3,4)5)20-14-15-22-24(23(17)20)19-12-10-11-13-21(19)29-22/h10-15,25,28H,16H2,1-9H3.
What are the key properties of N-[(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-2,4,4-trimethylpentan-2-amine?
N-[(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-2,4,4-trimethylpentan-2-amine has a molecular weight of 435.75 g/mol, XLogP of 8.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethyl-3H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 140821270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).