methanethioamide;1-methyl-5-phenylmethoxy-2,3-dihydroindole

C17H20N2OS — CID 144549825

IUPACmethanethioamide;1-methyl-5-phenylmethoxy-2,3-dihydroindole
SMILESCN1CCc2cc(OCc3ccccc3)ccc21.NC=S
InChIInChI=1S/C16H17NO.CH3NS/c1-17-10-9-14-11-15(7-8-16(14)17)18-12-13-5-3-2-4-6-13;2-1-3/h2-8,11H,9-10,12H2,1H3;1H,(H2,2,3)
InChIKeyLDLRYCRJVMUUNX-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.16
Rot. Bonds3

About methanethioamide;1-methyl-5-phenylmethoxy-2,3-dihydroindole

methanethioamide;1-methyl-5-phenylmethoxy-2,3-dihydroindole (PubChem CID 144549825) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is methanethioamide;1-methyl-5-phenylmethoxy-2,3-dihydroindole.

Molecular Properties

Compound Namemethanethioamide;1-methyl-5-phenylmethoxy-2,3-dihydroindole
PubChem CID144549825
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Namemethanethioamide;1-methyl-5-phenylmethoxy-2,3-dihydroindole
SMILESCN1CCc2cc(OCc3ccccc3)ccc21.NC=S
InChIInChI=1S/C16H17NO.CH3NS/c1-17-10-9-14-11-15(7-8-16(14)17)18-12-13-5-3-2-4-6-13;2-1-3/h2-8,11H,9-10,12H2,1H3;1H,(H2,2,3)
InChIKeyLDLRYCRJVMUUNX-UHFFFAOYSA-N
XLogP3.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-methyl-6-(pyridin-3-ylmethoxy)-2,3-dihydroindole
CID 118567165
1-methyl-5-phenylmethoxy-2H-indol-3-one
CID 155591084
N-benzyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 65385490
4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene
CID 23121671
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-phenylacetamide
CID 110483038
6-phenylmethoxy-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]-3,4-dihydro-2H-quinoline
CID 70873537
2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone
CID 8778658
1,1-dimethyl-5-phenylmethoxy-2,3-dihydroindol-1-ium
CID 76846919
4-methylbenzenesulfonic acid;methyl 3-(6-phenylmethoxy-2,3-dihydroindol-1-yl)propanoate
CID 130247124
ethyl 2-methyl-2-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propanoate
CID 23525929
1-(methylamino)-3-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 155535049
7-phenylmethoxy-1-pyridin-4-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
CID 24849071

Frequently Asked Questions

What is the IUPAC name of methanethioamide;1-methyl-5-phenylmethoxy-2,3-dihydroindole?
The IUPAC name of methanethioamide;1-methyl-5-phenylmethoxy-2,3-dihydroindole (CID 144549825) is methanethioamide;1-methyl-5-phenylmethoxy-2,3-dihydroindole.
What is the SMILES notation for methanethioamide;1-methyl-5-phenylmethoxy-2,3-dihydroindole?
The canonical SMILES for methanethioamide;1-methyl-5-phenylmethoxy-2,3-dihydroindole is CN1CCc2cc(OCc3ccccc3)ccc21.NC=S.
What is the InChIKey of methanethioamide;1-methyl-5-phenylmethoxy-2,3-dihydroindole?
The InChIKey is LDLRYCRJVMUUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO.CH3NS/c1-17-10-9-14-11-15(7-8-16(14)17)18-12-13-5-3-2-4-6-13;2-1-3/h2-8,11H,9-10,12H2,1H3;1H,(H2,2,3).
What are the key properties of methanethioamide;1-methyl-5-phenylmethoxy-2,3-dihydroindole?
methanethioamide;1-methyl-5-phenylmethoxy-2,3-dihydroindole has a molecular weight of 300.43 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanethioamide;1-methyl-5-phenylmethoxy-2,3-dihydroindole is sourced from PubChem (CID 144549825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).