1-[4-(aminomethyl)thiophen-2-yl]ethanol

C7H11NOS — CID 82415882

IUPAC1-[4-(aminomethyl)thiophen-2-yl]ethanol
SMILESCC(O)c1cc(CN)cs1
InChIInChI=1S/C7H11NOS/c1-5(9)7-2-6(3-8)4-10-7/h2,4-5,9H,3,8H2,1H3
InChIKeyDRFLFMMXSHKUTC-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.26
Rot. Bonds2

About 1-[4-(aminomethyl)thiophen-2-yl]ethanol

1-[4-(aminomethyl)thiophen-2-yl]ethanol (PubChem CID 82415882) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 1-[4-(aminomethyl)thiophen-2-yl]ethanol.

Molecular Properties

Compound Name1-[4-(aminomethyl)thiophen-2-yl]ethanol
PubChem CID82415882
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name1-[4-(aminomethyl)thiophen-2-yl]ethanol
SMILESCC(O)c1cc(CN)cs1
InChIInChI=1S/C7H11NOS/c1-5(9)7-2-6(3-8)4-10-7/h2,4-5,9H,3,8H2,1H3
InChIKeyDRFLFMMXSHKUTC-UHFFFAOYSA-N
XLogP1.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)thiophen-2-yl]ethanol?
The IUPAC name of 1-[4-(aminomethyl)thiophen-2-yl]ethanol (CID 82415882) is 1-[4-(aminomethyl)thiophen-2-yl]ethanol.
What is the SMILES notation for 1-[4-(aminomethyl)thiophen-2-yl]ethanol?
The canonical SMILES for 1-[4-(aminomethyl)thiophen-2-yl]ethanol is CC(O)c1cc(CN)cs1.
What is the InChIKey of 1-[4-(aminomethyl)thiophen-2-yl]ethanol?
The InChIKey is DRFLFMMXSHKUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-5(9)7-2-6(3-8)4-10-7/h2,4-5,9H,3,8H2,1H3.
What are the key properties of 1-[4-(aminomethyl)thiophen-2-yl]ethanol?
1-[4-(aminomethyl)thiophen-2-yl]ethanol has a molecular weight of 157.24 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)thiophen-2-yl]ethanol is sourced from PubChem (CID 82415882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).