N-(3-ethoxyspiro[3.4]octan-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C18H27NOS — CID 64863853

IUPACN-(3-ethoxyspiro[3.4]octan-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCCOC1CC(NC2CCCc3sccc32)C12CCCC2
InChIInChI=1S/C18H27NOS/c1-2-20-17-12-16(18(17)9-3-4-10-18)19-14-6-5-7-15-13(14)8-11-21-15/h8,11,14,16-17,19H,2-7,9-10,12H2,1H3
InChIKeyRPHJZRXFHZZQSM-UHFFFAOYSA-N
MW305.49 g/mol
LogP4.45
Rot. Bonds4

About N-(3-ethoxyspiro[3.4]octan-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

N-(3-ethoxyspiro[3.4]octan-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 64863853) has the molecular formula C18H27NOS and a molecular weight of 305.49 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.4]octan-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.4]octan-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID64863853
Molecular FormulaC18H27NOS
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC NameN-(3-ethoxyspiro[3.4]octan-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCCOC1CC(NC2CCCc3sccc32)C12CCCC2
InChIInChI=1S/C18H27NOS/c1-2-20-17-12-16(18(17)9-3-4-10-18)19-14-6-5-7-15-13(14)8-11-21-15/h8,11,14,16-17,19H,2-7,9-10,12H2,1H3
InChIKeyRPHJZRXFHZZQSM-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-ethoxyspiro[3.4]octan-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine with MolForge

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Related Compounds

N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65295086
N-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 113262606
N-(4,4-dimethylthian-3-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 79948113
N-(2-ethylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 103783841
N-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170310
N-(2-propylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 115892167
3-ethoxy-N-(1,3-thiazol-2-ylmethyl)spiro[3.5]nonan-1-amine
CID 65167786
(4R)-N-[(1S,3R)-3-[(R)-ethylsulfinyl]cyclohexyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 97233177
3-ethoxy-N-[(1S)-1-thiophen-2-ylethyl]spiro[3.5]nonan-1-amine
CID 81398155
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163
3-ethoxy-N-(2-methylcyclopropyl)spiro[3.3]heptan-1-amine
CID 65294430
N-(4-propylcycloheptyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 65091134

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.4]octan-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of N-(3-ethoxyspiro[3.4]octan-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 64863853) is N-(3-ethoxyspiro[3.4]octan-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for N-(3-ethoxyspiro[3.4]octan-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for N-(3-ethoxyspiro[3.4]octan-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is CCOC1CC(NC2CCCc3sccc32)C12CCCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.4]octan-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is RPHJZRXFHZZQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NOS/c1-2-20-17-12-16(18(17)9-3-4-10-18)19-14-6-5-7-15-13(14)8-11-21-15/h8,11,14,16-17,19H,2-7,9-10,12H2,1H3.
What are the key properties of N-(3-ethoxyspiro[3.4]octan-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
N-(3-ethoxyspiro[3.4]octan-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 305.49 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.4]octan-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 64863853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).