N-ethyl-3-(oxolan-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-amine

C17H27NOS — CID 104993689

IUPACN-ethyl-3-(oxolan-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCO1)c1cc2c(s1)CCCC2
InChIInChI=1S/C17H27NOS/c1-2-18-15(10-9-14-7-5-11-19-14)17-12-13-6-3-4-8-16(13)20-17/h12,14-15,18H,2-11H2,1H3
InChIKeyNHZLSMHBVSWXTL-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.24
Rot. Bonds6

About N-ethyl-3-(oxolan-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-amine

N-ethyl-3-(oxolan-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-amine (PubChem CID 104993689) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is N-ethyl-3-(oxolan-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(oxolan-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-amine
PubChem CID104993689
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC NameN-ethyl-3-(oxolan-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCO1)c1cc2c(s1)CCCC2
InChIInChI=1S/C17H27NOS/c1-2-18-15(10-9-14-7-5-11-19-14)17-12-13-6-3-4-8-16(13)20-17/h12,14-15,18H,2-11H2,1H3
InChIKeyNHZLSMHBVSWXTL-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993589
3-(oxolan-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propan-1-ol
CID 115809348
2-cyclopentyl-N-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 115847120
N-ethyl-3-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butan-1-amine
CID 115781972
N-ethyl-4-methoxy-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-amine
CID 105054975
1-(4,5-dimethylthiophen-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993486
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyldecan-1-amine
CID 115831829
N-ethyl-3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexan-1-amine
CID 115845515
N-ethyl-3-methylsulfonyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propan-1-amine
CID 115848086
1-(3-bromo-5-methylthiophen-2-yl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65278411
N-ethyl-1-(5-iodothiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104993701
N-ethyl-3-(oxolan-2-yl)-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 65156525

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(oxolan-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-3-(oxolan-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-amine (CID 104993689) is N-ethyl-3-(oxolan-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(oxolan-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(oxolan-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-amine is CCNC(CCC1CCCO1)c1cc2c(s1)CCCC2.
What is the InChIKey of N-ethyl-3-(oxolan-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-amine?
The InChIKey is NHZLSMHBVSWXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-2-18-15(10-9-14-7-5-11-19-14)17-12-13-6-3-4-8-16(13)20-17/h12,14-15,18H,2-11H2,1H3.
What are the key properties of N-ethyl-3-(oxolan-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-amine?
N-ethyl-3-(oxolan-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-amine has a molecular weight of 293.48 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(oxolan-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-amine is sourced from PubChem (CID 104993689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).