5-[1-(aminomethyl)cyclohexyl]-1-benzothiophen-4-ol

C15H19NOS — CID 117408516

IUPAC5-[1-(aminomethyl)cyclohexyl]-1-benzothiophen-4-ol
SMILESNCC1(c2ccc3sccc3c2O)CCCCC1
InChIInChI=1S/C15H19NOS/c16-10-15(7-2-1-3-8-15)12-4-5-13-11(14(12)17)6-9-18-13/h4-6,9,17H,1-3,7-8,10,16H2
InChIKeyQGGXXSYYSIJRIP-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.77
Rot. Bonds2

About 5-[1-(aminomethyl)cyclohexyl]-1-benzothiophen-4-ol

5-[1-(aminomethyl)cyclohexyl]-1-benzothiophen-4-ol (PubChem CID 117408516) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 5-[1-(aminomethyl)cyclohexyl]-1-benzothiophen-4-ol.

Molecular Properties

Compound Name5-[1-(aminomethyl)cyclohexyl]-1-benzothiophen-4-ol
PubChem CID117408516
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name5-[1-(aminomethyl)cyclohexyl]-1-benzothiophen-4-ol
SMILESNCC1(c2ccc3sccc3c2O)CCCCC1
InChIInChI=1S/C15H19NOS/c16-10-15(7-2-1-3-8-15)12-4-5-13-11(14(12)17)6-9-18-13/h4-6,9,17H,1-3,7-8,10,16H2
InChIKeyQGGXXSYYSIJRIP-UHFFFAOYSA-N
XLogP3.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(aminomethyl)cyclohexyl]-1-benzothiophen-4-ol?
The IUPAC name of 5-[1-(aminomethyl)cyclohexyl]-1-benzothiophen-4-ol (CID 117408516) is 5-[1-(aminomethyl)cyclohexyl]-1-benzothiophen-4-ol.
What is the SMILES notation for 5-[1-(aminomethyl)cyclohexyl]-1-benzothiophen-4-ol?
The canonical SMILES for 5-[1-(aminomethyl)cyclohexyl]-1-benzothiophen-4-ol is NCC1(c2ccc3sccc3c2O)CCCCC1.
What is the InChIKey of 5-[1-(aminomethyl)cyclohexyl]-1-benzothiophen-4-ol?
The InChIKey is QGGXXSYYSIJRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c16-10-15(7-2-1-3-8-15)12-4-5-13-11(14(12)17)6-9-18-13/h4-6,9,17H,1-3,7-8,10,16H2.
What are the key properties of 5-[1-(aminomethyl)cyclohexyl]-1-benzothiophen-4-ol?
5-[1-(aminomethyl)cyclohexyl]-1-benzothiophen-4-ol has a molecular weight of 261.39 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(aminomethyl)cyclohexyl]-1-benzothiophen-4-ol is sourced from PubChem (CID 117408516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).