[2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxolan-3-yl]methanamine

C17H23NOS — CID 104509416

IUPAC[2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxolan-3-yl]methanamine
SMILESNCC1(CC2CSc3ccccc32)CCOC1C1CC1
InChIInChI=1S/C17H23NOS/c18-11-17(7-8-19-16(17)12-5-6-12)9-13-10-20-15-4-2-1-3-14(13)15/h1-4,12-13,16H,5-11,18H2
InChIKeyMIUDHSZFYNGQTB-UHFFFAOYSA-N
MW289.44 g/mol
LogP3.41
Rot. Bonds4

About [2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxolan-3-yl]methanamine

[2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxolan-3-yl]methanamine (PubChem CID 104509416) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is [2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxolan-3-yl]methanamine
PubChem CID104509416
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name[2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxolan-3-yl]methanamine
SMILESNCC1(CC2CSc3ccccc32)CCOC1C1CC1
InChIInChI=1S/C17H23NOS/c18-11-17(7-8-19-16(17)12-5-6-12)9-13-10-20-15-4-2-1-3-14(13)15/h1-4,12-13,16H,5-11,18H2
InChIKeyMIUDHSZFYNGQTB-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methyloxolan-3-yl]methanol
CID 114535590
[2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 79221230
4-(bromomethyl)-4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxane
CID 79226239
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethylcyclopentan-1-amine
CID 79226398
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methylcyclopentan-1-amine
CID 79226082
[2-cyclopropyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methanamine
CID 102900544
[3-[(3-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
CID 113420831
[3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxan-3-yl]methanol
CID 103718589
[2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolan-3-yl]methanamine
CID 104509409
3-[(3-chloro-1-methylcyclopentyl)methyl]-2,3-dihydro-1-benzothiophene
CID 116540293
[2-cyclopropyl-3-[(3,4-difluorophenyl)methyl]oxolan-3-yl]methanamine
CID 104509406
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79218173

Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxolan-3-yl]methanamine?
The IUPAC name of [2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxolan-3-yl]methanamine (CID 104509416) is [2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxolan-3-yl]methanamine.
What is the SMILES notation for [2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxolan-3-yl]methanamine?
The canonical SMILES for [2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxolan-3-yl]methanamine is NCC1(CC2CSc3ccccc32)CCOC1C1CC1.
What is the InChIKey of [2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxolan-3-yl]methanamine?
The InChIKey is MIUDHSZFYNGQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c18-11-17(7-8-19-16(17)12-5-6-12)9-13-10-20-15-4-2-1-3-14(13)15/h1-4,12-13,16H,5-11,18H2.
What are the key properties of [2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxolan-3-yl]methanamine?
[2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxolan-3-yl]methanamine has a molecular weight of 289.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxolan-3-yl]methanamine is sourced from PubChem (CID 104509416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).