N-methyldibenzothiophen-2-amine

C13H11NS — CID 138617905

IUPACN-methyldibenzothiophen-2-amine
SMILESCNc1ccc2sc3ccccc3c2c1
InChIInChI=1S/C13H11NS/c1-14-9-6-7-13-11(8-9)10-4-2-3-5-12(10)15-13/h2-8,14H,1H3
InChIKeyTZFMSYSUVWVMGD-UHFFFAOYSA-N
MW213.31 g/mol
LogP4.10
Rot. Bonds1

About N-methyldibenzothiophen-2-amine

N-methyldibenzothiophen-2-amine (PubChem CID 138617905) has the molecular formula C13H11NS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-methyldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-methyldibenzothiophen-2-amine
PubChem CID138617905
Molecular FormulaC13H11NS
Molecular Weight213.31 g/mol
Exact Mass213.06
IUPAC NameN-methyldibenzothiophen-2-amine
SMILESCNc1ccc2sc3ccccc3c2c1
InChIInChI=1S/C13H11NS/c1-14-9-6-7-13-11(8-9)10-4-2-3-5-12(10)15-13/h2-8,14H,1H3
InChIKeyTZFMSYSUVWVMGD-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(dibenzothiophene);ethane
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1-N-dibenzothiophen-2-yl-3-N,3-N-diphenylbenzene-1,3-diamine
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dibenzothiophene;methane
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3-N-dibenzothiophen-2-yl-1-N,5-diphenylbenzene-1,3-diamine
CID 139380088
N,17-dimethyl-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 126614110
N-(4-carbazol-9-ylphenyl)dibenzothiophen-2-amine
CID 126621948
2-bromodibenzothiophene;dibenzothiophene
CID 158379286
dibenzothiophene;ethane;molecular hydrogen
CID 145320534
N'-[2-(dibenzothiophen-2-ylamino)phenyl]ethanimidamide
CID 135244040
chloromethane;dibenzothiophene;2,8-dibromodibenzothiophene;molecular bromine
CID 157372043
N-dibenzothiophen-2-yl-4,5-dihydro-1H-imidazol-2-amine
CID 22024188
N-(4-cyclohexylphenyl)dibenzothiophen-2-amine
CID 174329595

Frequently Asked Questions

What is the IUPAC name of N-methyldibenzothiophen-2-amine?
The IUPAC name of N-methyldibenzothiophen-2-amine (CID 138617905) is N-methyldibenzothiophen-2-amine.
What is the SMILES notation for N-methyldibenzothiophen-2-amine?
The canonical SMILES for N-methyldibenzothiophen-2-amine is CNc1ccc2sc3ccccc3c2c1.
What is the InChIKey of N-methyldibenzothiophen-2-amine?
The InChIKey is TZFMSYSUVWVMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NS/c1-14-9-6-7-13-11(8-9)10-4-2-3-5-12(10)15-13/h2-8,14H,1H3.
What are the key properties of N-methyldibenzothiophen-2-amine?
N-methyldibenzothiophen-2-amine has a molecular weight of 213.31 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyldibenzothiophen-2-amine is sourced from PubChem (CID 138617905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).