[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-thiophen-3-ylmethanol

C15H17NO2S — CID 79134707

IUPAC[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-thiophen-3-ylmethanol
SMILESNCC1(C(O)c2ccsc2)COc2ccccc2C1
InChIInChI=1S/C15H17NO2S/c16-9-15(14(17)12-5-6-19-8-12)7-11-3-1-2-4-13(11)18-10-15/h1-6,8,14,17H,7,9-10,16H2
InChIKeyFBDDDIBJWPLDTP-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.36
Rot. Bonds3

About [3-(aminomethyl)-2,4-dihydrochromen-3-yl]-thiophen-3-ylmethanol

[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-thiophen-3-ylmethanol (PubChem CID 79134707) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is [3-(aminomethyl)-2,4-dihydrochromen-3-yl]-thiophen-3-ylmethanol.

Molecular Properties

Compound Name[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-thiophen-3-ylmethanol
PubChem CID79134707
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-thiophen-3-ylmethanol
SMILESNCC1(C(O)c2ccsc2)COc2ccccc2C1
InChIInChI=1S/C15H17NO2S/c16-9-15(14(17)12-5-6-19-8-12)7-11-3-1-2-4-13(11)18-10-15/h1-6,8,14,17H,7,9-10,16H2
InChIKeyFBDDDIBJWPLDTP-UHFFFAOYSA-N
XLogP2.36
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-2,4-dihydrochromen-3-yl]-thiophen-3-ylmethanol?
The IUPAC name of [3-(aminomethyl)-2,4-dihydrochromen-3-yl]-thiophen-3-ylmethanol (CID 79134707) is [3-(aminomethyl)-2,4-dihydrochromen-3-yl]-thiophen-3-ylmethanol.
What is the SMILES notation for [3-(aminomethyl)-2,4-dihydrochromen-3-yl]-thiophen-3-ylmethanol?
The canonical SMILES for [3-(aminomethyl)-2,4-dihydrochromen-3-yl]-thiophen-3-ylmethanol is NCC1(C(O)c2ccsc2)COc2ccccc2C1.
What is the InChIKey of [3-(aminomethyl)-2,4-dihydrochromen-3-yl]-thiophen-3-ylmethanol?
The InChIKey is FBDDDIBJWPLDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c16-9-15(14(17)12-5-6-19-8-12)7-11-3-1-2-4-13(11)18-10-15/h1-6,8,14,17H,7,9-10,16H2.
What are the key properties of [3-(aminomethyl)-2,4-dihydrochromen-3-yl]-thiophen-3-ylmethanol?
[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-thiophen-3-ylmethanol has a molecular weight of 275.37 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-2,4-dihydrochromen-3-yl]-thiophen-3-ylmethanol is sourced from PubChem (CID 79134707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).