2-methyl-5-methylsulfanyl-6,10b-dihydro-5aH-indeno[2,1-b]indole

C17H17NS — CID 167260143

IUPAC2-methyl-5-methylsulfanyl-6,10b-dihydro-5aH-indeno[2,1-b]indole
SMILESCSN1c2ccc(C)cc2C2c3ccccc3CC21
InChIInChI=1S/C17H17NS/c1-11-7-8-15-14(9-11)17-13-6-4-3-5-12(13)10-16(17)18(15)19-2/h3-9,16-17H,10H2,1-2H3
InChIKeyRFOBPYZEKPDYOX-UHFFFAOYSA-N
MW267.40 g/mol
LogP4.15
Rot. Bonds1

About 2-methyl-5-methylsulfanyl-6,10b-dihydro-5aH-indeno[2,1-b]indole

2-methyl-5-methylsulfanyl-6,10b-dihydro-5aH-indeno[2,1-b]indole (PubChem CID 167260143) has the molecular formula C17H17NS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-methyl-5-methylsulfanyl-6,10b-dihydro-5aH-indeno[2,1-b]indole.

Molecular Properties

Compound Name2-methyl-5-methylsulfanyl-6,10b-dihydro-5aH-indeno[2,1-b]indole
PubChem CID167260143
Molecular FormulaC17H17NS
Molecular Weight267.40 g/mol
Exact Mass267.11
IUPAC Name2-methyl-5-methylsulfanyl-6,10b-dihydro-5aH-indeno[2,1-b]indole
SMILESCSN1c2ccc(C)cc2C2c3ccccc3CC21
InChIInChI=1S/C17H17NS/c1-11-7-8-15-14(9-11)17-13-6-4-3-5-12(13)10-16(17)18(15)19-2/h3-9,16-17H,10H2,1-2H3
InChIKeyRFOBPYZEKPDYOX-UHFFFAOYSA-N
XLogP4.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-5-methylsulfanyl-6,10b-dihydro-5aH-indeno[2,1-b]indole 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

2-methoxy-5-methyl-6,10b-dihydro-5aH-indeno[2,1-b]indole
CID 167260146
(4bS,9bR)-5,8-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole
CID 57298321
(1S,2R,10R)-21,23-dichloro-13,19-dimethyl-17,19-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-4,6,8,11(16),12,14,20(25),21,23-nonaen-18-one
CID 164683239
(4R,13R,19S,28S)-12,20-bis-(4-methylphenyl)sulfonyl-12,20-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,5,7,9,15,22,24,26-nonaene
CID 132606613
5,10-dimethyl-10-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,13,15,17-hexaen-4-ol
CID 19089138
8-methyl-5-(4-propylheptyl)-9b,10-dihydro-4bH-indeno[1,2-b]indole
CID 139339685
17-(2,4-dimethylphenyl)-4-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaene-16,18-dione
CID 71675597
(6aS,12bS)-6a-fluoro-2-methyl-6,7,8,12b-tetrahydro-5H-benzo[c]phenanthrene
CID 102435786
(1R,2R)-1-fluoro-2-methylsulfanyl-2,3-dihydro-1H-indene
CID 14113346
2-(4,4-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-ol
CID 62930073
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-bromo-5-methylaniline
CID 82757471
5,10-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
CID 59881663

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfanyl-6,10b-dihydro-5aH-indeno[2,1-b]indole?
The IUPAC name of 2-methyl-5-methylsulfanyl-6,10b-dihydro-5aH-indeno[2,1-b]indole (CID 167260143) is 2-methyl-5-methylsulfanyl-6,10b-dihydro-5aH-indeno[2,1-b]indole.
What is the SMILES notation for 2-methyl-5-methylsulfanyl-6,10b-dihydro-5aH-indeno[2,1-b]indole?
The canonical SMILES for 2-methyl-5-methylsulfanyl-6,10b-dihydro-5aH-indeno[2,1-b]indole is CSN1c2ccc(C)cc2C2c3ccccc3CC21.
What is the InChIKey of 2-methyl-5-methylsulfanyl-6,10b-dihydro-5aH-indeno[2,1-b]indole?
The InChIKey is RFOBPYZEKPDYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NS/c1-11-7-8-15-14(9-11)17-13-6-4-3-5-12(13)10-16(17)18(15)19-2/h3-9,16-17H,10H2,1-2H3.
What are the key properties of 2-methyl-5-methylsulfanyl-6,10b-dihydro-5aH-indeno[2,1-b]indole?
2-methyl-5-methylsulfanyl-6,10b-dihydro-5aH-indeno[2,1-b]indole has a molecular weight of 267.40 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfanyl-6,10b-dihydro-5aH-indeno[2,1-b]indole is sourced from PubChem (CID 167260143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).