1-[1-(aminomethyl)cyclopropyl]-1-thiophen-3-ylethanol

C10H15NOS — CID 131210776

IUPAC1-[1-(aminomethyl)cyclopropyl]-1-thiophen-3-ylethanol
SMILESCC(O)(c1ccsc1)C1(CN)CC1
InChIInChI=1S/C10H15NOS/c1-9(12,8-2-5-13-6-8)10(7-11)3-4-10/h2,5-6,12H,3-4,7,11H2,1H3
InChIKeyPCYUJLLFMKNAPG-UHFFFAOYSA-N
MW197.30 g/mol
LogP1.69
Rot. Bonds3

About 1-[1-(aminomethyl)cyclopropyl]-1-thiophen-3-ylethanol

1-[1-(aminomethyl)cyclopropyl]-1-thiophen-3-ylethanol (PubChem CID 131210776) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopropyl]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopropyl]-1-thiophen-3-ylethanol
PubChem CID131210776
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name1-[1-(aminomethyl)cyclopropyl]-1-thiophen-3-ylethanol
SMILESCC(O)(c1ccsc1)C1(CN)CC1
InChIInChI=1S/C10H15NOS/c1-9(12,8-2-5-13-6-8)10(7-11)3-4-10/h2,5-6,12H,3-4,7,11H2,1H3
InChIKeyPCYUJLLFMKNAPG-UHFFFAOYSA-N
XLogP1.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopropyl]-1-thiophen-3-ylethanol?
The IUPAC name of 1-[1-(aminomethyl)cyclopropyl]-1-thiophen-3-ylethanol (CID 131210776) is 1-[1-(aminomethyl)cyclopropyl]-1-thiophen-3-ylethanol.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopropyl]-1-thiophen-3-ylethanol?
The canonical SMILES for 1-[1-(aminomethyl)cyclopropyl]-1-thiophen-3-ylethanol is CC(O)(c1ccsc1)C1(CN)CC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopropyl]-1-thiophen-3-ylethanol?
The InChIKey is PCYUJLLFMKNAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-9(12,8-2-5-13-6-8)10(7-11)3-4-10/h2,5-6,12H,3-4,7,11H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cyclopropyl]-1-thiophen-3-ylethanol?
1-[1-(aminomethyl)cyclopropyl]-1-thiophen-3-ylethanol has a molecular weight of 197.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopropyl]-1-thiophen-3-ylethanol is sourced from PubChem (CID 131210776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).