[3-(aminomethyl)oxan-3-yl]-(1-benzothiophen-3-yl)methanol

C15H19NO2S — CID 103716030

IUPAC[3-(aminomethyl)oxan-3-yl]-(1-benzothiophen-3-yl)methanol
SMILESNCC1(C(O)c2csc3ccccc23)CCCOC1
InChIInChI=1S/C15H19NO2S/c16-9-15(6-3-7-18-10-15)14(17)12-8-19-13-5-2-1-4-11(12)13/h1-2,4-5,8,14,17H,3,6-7,9-10,16H2
InChIKeyYXRXTXLVDUCLIV-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.69
Rot. Bonds3

About [3-(aminomethyl)oxan-3-yl]-(1-benzothiophen-3-yl)methanol

[3-(aminomethyl)oxan-3-yl]-(1-benzothiophen-3-yl)methanol (PubChem CID 103716030) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is [3-(aminomethyl)oxan-3-yl]-(1-benzothiophen-3-yl)methanol.

Molecular Properties

Compound Name[3-(aminomethyl)oxan-3-yl]-(1-benzothiophen-3-yl)methanol
PubChem CID103716030
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name[3-(aminomethyl)oxan-3-yl]-(1-benzothiophen-3-yl)methanol
SMILESNCC1(C(O)c2csc3ccccc23)CCCOC1
InChIInChI=1S/C15H19NO2S/c16-9-15(6-3-7-18-10-15)14(17)12-8-19-13-5-2-1-4-11(12)13/h1-2,4-5,8,14,17H,3,6-7,9-10,16H2
InChIKeyYXRXTXLVDUCLIV-UHFFFAOYSA-N
XLogP2.69
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(aminomethyl)-3-methylcyclohexyl]-(1-benzothiophen-3-yl)methanol
CID 79138166
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
[3-(aminomethyl)oxan-3-yl]-pyridin-3-ylmethanol
CID 103715992
[3-(aminomethyl)oxolan-3-yl]-phenylmethanol
CID 79134982
[3-(aminomethyl)oxolan-3-yl]-(2-methylquinolin-4-yl)methanol
CID 79235310
[3-(aminomethyl)oxan-3-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
CID 103716034
3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol
CID 60733920
[3-(aminomethyl)oxan-3-yl]-(3-bromo-4-chlorophenyl)methanol
CID 114113377
[3-(aminomethyl)oxolan-3-yl]-(furan-2-yl)methanol
CID 79134983
2-[[1-(aminomethyl)cyclobutyl]-hydroxymethyl]phenol
CID 105460570
[3-(aminomethyl)oxolan-3-yl]-(1-benzofuran-2-yl)methanol
CID 79138546
2-amino-1-(1-benzothiophen-3-yl)ethanethiol
CID 116868698

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)oxan-3-yl]-(1-benzothiophen-3-yl)methanol?
The IUPAC name of [3-(aminomethyl)oxan-3-yl]-(1-benzothiophen-3-yl)methanol (CID 103716030) is [3-(aminomethyl)oxan-3-yl]-(1-benzothiophen-3-yl)methanol.
What is the SMILES notation for [3-(aminomethyl)oxan-3-yl]-(1-benzothiophen-3-yl)methanol?
The canonical SMILES for [3-(aminomethyl)oxan-3-yl]-(1-benzothiophen-3-yl)methanol is NCC1(C(O)c2csc3ccccc23)CCCOC1.
What is the InChIKey of [3-(aminomethyl)oxan-3-yl]-(1-benzothiophen-3-yl)methanol?
The InChIKey is YXRXTXLVDUCLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c16-9-15(6-3-7-18-10-15)14(17)12-8-19-13-5-2-1-4-11(12)13/h1-2,4-5,8,14,17H,3,6-7,9-10,16H2.
What are the key properties of [3-(aminomethyl)oxan-3-yl]-(1-benzothiophen-3-yl)methanol?
[3-(aminomethyl)oxan-3-yl]-(1-benzothiophen-3-yl)methanol has a molecular weight of 277.39 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)oxan-3-yl]-(1-benzothiophen-3-yl)methanol is sourced from PubChem (CID 103716030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).