3-methyl-1-oxo-N-propan-2-yl-2H-benzo[g]thiochromen-2-amine

C17H19NOS — CID 141442347

IUPAC3-methyl-1-oxo-N-propan-2-yl-2H-benzo[g]thiochromen-2-amine
SMILESCC1=Cc2cc3ccccc3cc2S(=O)C1NC(C)C
InChIInChI=1S/C17H19NOS/c1-11(2)18-17-12(3)8-15-9-13-6-4-5-7-14(13)10-16(15)20(17)19/h4-11,17-18H,1-3H3
InChIKeyONDRWSLLGJPWLX-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.69
Rot. Bonds2

About 3-methyl-1-oxo-N-propan-2-yl-2H-benzo[g]thiochromen-2-amine

3-methyl-1-oxo-N-propan-2-yl-2H-benzo[g]thiochromen-2-amine (PubChem CID 141442347) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 3-methyl-1-oxo-N-propan-2-yl-2H-benzo[g]thiochromen-2-amine.

Molecular Properties

Compound Name3-methyl-1-oxo-N-propan-2-yl-2H-benzo[g]thiochromen-2-amine
PubChem CID141442347
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name3-methyl-1-oxo-N-propan-2-yl-2H-benzo[g]thiochromen-2-amine
SMILESCC1=Cc2cc3ccccc3cc2S(=O)C1NC(C)C
InChIInChI=1S/C17H19NOS/c1-11(2)18-17-12(3)8-15-9-13-6-4-5-7-14(13)10-16(15)20(17)19/h4-11,17-18H,1-3H3
InChIKeyONDRWSLLGJPWLX-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-oxo-2H-benzo[g]thiochromen-2-ol
CID 141069567
2,3-di(propan-2-yl)-2H-benzo[g]thiochromene 1-oxide
CID 141094875
2-phenyl-2H-benzo[g]thiochromene 1-oxide
CID 178076131
anthracene;2-methylpropane
CID 142471530
2,4-dichloro-2H-benzo[g]thiochromene 1-oxide
CID 141060514
3-(2-methyl-1H-inden-1-yl)naphthalene-2-carbaldehyde
CID 139946435
1-[bis(3,5-dimethylphenyl)methyl]-2-methyl-1H-indene
CID 140629889
lithium anthracene
CID 22662646
6-bromo-2,3-dimethyl-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 79415107
anthracene;ethane;methanesulfonic acid
CID 91545165
N-(1-naphthalen-2-ylethyl)methanesulfonamide
CID 3715918
N-[2-[[4-(chloromethyl)phenyl]methyl]octyl]-1-oxo-2H-benzo[g]thiochromen-2-amine
CID 141442348

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-oxo-N-propan-2-yl-2H-benzo[g]thiochromen-2-amine?
The IUPAC name of 3-methyl-1-oxo-N-propan-2-yl-2H-benzo[g]thiochromen-2-amine (CID 141442347) is 3-methyl-1-oxo-N-propan-2-yl-2H-benzo[g]thiochromen-2-amine.
What is the SMILES notation for 3-methyl-1-oxo-N-propan-2-yl-2H-benzo[g]thiochromen-2-amine?
The canonical SMILES for 3-methyl-1-oxo-N-propan-2-yl-2H-benzo[g]thiochromen-2-amine is CC1=Cc2cc3ccccc3cc2S(=O)C1NC(C)C.
What is the InChIKey of 3-methyl-1-oxo-N-propan-2-yl-2H-benzo[g]thiochromen-2-amine?
The InChIKey is ONDRWSLLGJPWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-11(2)18-17-12(3)8-15-9-13-6-4-5-7-14(13)10-16(15)20(17)19/h4-11,17-18H,1-3H3.
What are the key properties of 3-methyl-1-oxo-N-propan-2-yl-2H-benzo[g]thiochromen-2-amine?
3-methyl-1-oxo-N-propan-2-yl-2H-benzo[g]thiochromen-2-amine has a molecular weight of 285.41 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-oxo-N-propan-2-yl-2H-benzo[g]thiochromen-2-amine is sourced from PubChem (CID 141442347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).