1-[2-(thian-4-yloxy)phenyl]cyclopropan-1-amine

C14H19NOS — CID 115004989

IUPAC1-[2-(thian-4-yloxy)phenyl]cyclopropan-1-amine
SMILESNC1(c2ccccc2OC2CCSCC2)CC1
InChIInChI=1S/C14H19NOS/c15-14(7-8-14)12-3-1-2-4-13(12)16-11-5-9-17-10-6-11/h1-4,11H,5-10,15H2
InChIKeyLPJAWDMKUISQCU-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.91
Rot. Bonds3

About 1-[2-(thian-4-yloxy)phenyl]cyclopropan-1-amine

1-[2-(thian-4-yloxy)phenyl]cyclopropan-1-amine (PubChem CID 115004989) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-[2-(thian-4-yloxy)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(thian-4-yloxy)phenyl]cyclopropan-1-amine
PubChem CID115004989
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name1-[2-(thian-4-yloxy)phenyl]cyclopropan-1-amine
SMILESNC1(c2ccccc2OC2CCSCC2)CC1
InChIInChI=1S/C14H19NOS/c15-14(7-8-14)12-3-1-2-4-13(12)16-11-5-9-17-10-6-11/h1-4,11H,5-10,15H2
InChIKeyLPJAWDMKUISQCU-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(thian-4-yloxy)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(thian-4-yloxy)phenyl]cyclopropan-1-amine (CID 115004989) is 1-[2-(thian-4-yloxy)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(thian-4-yloxy)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(thian-4-yloxy)phenyl]cyclopropan-1-amine is NC1(c2ccccc2OC2CCSCC2)CC1.
What is the InChIKey of 1-[2-(thian-4-yloxy)phenyl]cyclopropan-1-amine?
The InChIKey is LPJAWDMKUISQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c15-14(7-8-14)12-3-1-2-4-13(12)16-11-5-9-17-10-6-11/h1-4,11H,5-10,15H2.
What are the key properties of 1-[2-(thian-4-yloxy)phenyl]cyclopropan-1-amine?
1-[2-(thian-4-yloxy)phenyl]cyclopropan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thian-4-yloxy)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 115004989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).