N-methyl-1-(3-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)propan-2-amine

C13H19NO2S — CID 117203096

IUPACN-methyl-1-(3-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)propan-2-amine
SMILESCNC(C)Cc1cccc2c1C(C)CS2(=O)=O
InChIInChI=1S/C13H19NO2S/c1-9-8-17(15,16)12-6-4-5-11(13(9)12)7-10(2)14-3/h4-6,9-10,14H,7-8H2,1-3H3
InChIKeyRIXKDPLLCJUTFH-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.73
Rot. Bonds3

About N-methyl-1-(3-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)propan-2-amine

N-methyl-1-(3-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)propan-2-amine (PubChem CID 117203096) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)propan-2-amine
PubChem CID117203096
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-methyl-1-(3-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)propan-2-amine
SMILESCNC(C)Cc1cccc2c1C(C)CS2(=O)=O
InChIInChI=1S/C13H19NO2S/c1-9-8-17(15,16)12-6-4-5-11(13(9)12)7-10(2)14-3/h4-6,9-10,14H,7-8H2,1-3H3
InChIKeyRIXKDPLLCJUTFH-UHFFFAOYSA-N
XLogP1.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(methylamino)ethyl]-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-ol
CID 117200263
(2R)-N-methyl-1-naphthalen-1-ylpropan-2-amine
CID 142942326
1-[2-(2,2-difluoroethyl)phenyl]-N-methylpropan-2-amine
CID 84723521
1-(1-benzofuran-7-yl)-N-methylpropan-2-amine;hydrochloride
CID 132988801
2-methyl-6-[2-(methylamino)propyl]phenol
CID 14265623
N-methyl-2-(3-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)ethanamine
CID 117203776
3-[2-(methylamino)propyl]-1,1-dioxo-1-benzothiophen-4-ol
CID 117194969
1-(1,1-dioxo-1-benzothiophen-2-yl)-N-methylpropan-2-amine
CID 117194304
1-(3-bromo-2-fluorophenyl)-N-methylpropan-2-amine
CID 84737397
2-chloro-6-[2-(methylamino)propyl]phenol
CID 84733707
1-(2-ethylsulfonylphenyl)-N-methylpropan-2-amine
CID 63199723
1-(5-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)-N-methylmethanamine
CID 84635329

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)propan-2-amine?
The IUPAC name of N-methyl-1-(3-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)propan-2-amine (CID 117203096) is N-methyl-1-(3-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)propan-2-amine.
What is the SMILES notation for N-methyl-1-(3-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)propan-2-amine?
The canonical SMILES for N-methyl-1-(3-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)propan-2-amine is CNC(C)Cc1cccc2c1C(C)CS2(=O)=O.
What is the InChIKey of N-methyl-1-(3-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)propan-2-amine?
The InChIKey is RIXKDPLLCJUTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-9-8-17(15,16)12-6-4-5-11(13(9)12)7-10(2)14-3/h4-6,9-10,14H,7-8H2,1-3H3.
What are the key properties of N-methyl-1-(3-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)propan-2-amine?
N-methyl-1-(3-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)propan-2-amine has a molecular weight of 253.37 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)propan-2-amine is sourced from PubChem (CID 117203096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).