2-ethyl-N-methyl-1-oxo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzothiol-3-amine

C14H19NOS — CID 64663254

IUPAC2-ethyl-N-methyl-1-oxo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzothiol-3-amine
SMILESCCC1C(NC)c2cc3c(cc2S1=O)CCC3
InChIInChI=1S/C14H19NOS/c1-3-12-14(15-2)11-7-9-5-4-6-10(9)8-13(11)17(12)16/h7-8,12,14-15H,3-6H2,1-2H3
InChIKeyHOCQNJVQTOIGFA-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.34
Rot. Bonds2

About 2-ethyl-N-methyl-1-oxo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzothiol-3-amine

2-ethyl-N-methyl-1-oxo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzothiol-3-amine (PubChem CID 64663254) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-ethyl-N-methyl-1-oxo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzothiol-3-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-1-oxo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzothiol-3-amine
PubChem CID64663254
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name2-ethyl-N-methyl-1-oxo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzothiol-3-amine
SMILESCCC1C(NC)c2cc3c(cc2S1=O)CCC3
InChIInChI=1S/C14H19NOS/c1-3-12-14(15-2)11-7-9-5-4-6-10(9)8-13(11)17(12)16/h7-8,12,14-15H,3-6H2,1-2H3
InChIKeyHOCQNJVQTOIGFA-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-oxo-N-propyl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzothiol-3-amine
CID 114992840
N-ethyl-7-oxo-8-propyl-3,4,8,9-tetrahydro-2H-thieno[2,3-h][1,5]benzodioxepin-9-amine
CID 83039665
N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine
CID 3058652
N,3,3-trimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine
CID 115483154
N-ethyl-8-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[g]naphthalen-5-amine
CID 113319273
N-ethyl-3-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]chromen-4-amine
CID 43537687
(5S)-8-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[g]naphthalen-5-ol
CID 115483234
8-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[g]naphthalen-5-ol
CID 115483235
N-methyl-6-(2-propylsulfonylethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106727212
(5S)-N-[(2S)-1-ethylsulfonylpropan-2-yl]-3,4,5,7,8,9-hexahydro-2H-cyclopenta[h][1]benzoxepin-5-amine
CID 129372367
methyl 14-azatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8,12-tetraene-14-carboxylate
CID 102138920
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-1-oxo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzothiol-3-amine?
The IUPAC name of 2-ethyl-N-methyl-1-oxo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzothiol-3-amine (CID 64663254) is 2-ethyl-N-methyl-1-oxo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzothiol-3-amine.
What is the SMILES notation for 2-ethyl-N-methyl-1-oxo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzothiol-3-amine?
The canonical SMILES for 2-ethyl-N-methyl-1-oxo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzothiol-3-amine is CCC1C(NC)c2cc3c(cc2S1=O)CCC3.
What is the InChIKey of 2-ethyl-N-methyl-1-oxo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzothiol-3-amine?
The InChIKey is HOCQNJVQTOIGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-3-12-14(15-2)11-7-9-5-4-6-10(9)8-13(11)17(12)16/h7-8,12,14-15H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-N-methyl-1-oxo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzothiol-3-amine?
2-ethyl-N-methyl-1-oxo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzothiol-3-amine has a molecular weight of 249.38 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-1-oxo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzothiol-3-amine is sourced from PubChem (CID 64663254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).