1-cyclopropyl-2-(1-thiophen-2-ylpropylamino)ethanol

C12H19NOS — CID 63294773

IUPAC1-cyclopropyl-2-(1-thiophen-2-ylpropylamino)ethanol
SMILESCCC(NCC(O)C1CC1)c1cccs1
InChIInChI=1S/C12H19NOS/c1-2-10(12-4-3-7-15-12)13-8-11(14)9-5-6-9/h3-4,7,9-11,13-14H,2,5-6,8H2,1H3
InChIKeyIOOFOLZRIXWQOG-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.56
Rot. Bonds6

About 1-cyclopropyl-2-(1-thiophen-2-ylpropylamino)ethanol

1-cyclopropyl-2-(1-thiophen-2-ylpropylamino)ethanol (PubChem CID 63294773) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-cyclopropyl-2-(1-thiophen-2-ylpropylamino)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(1-thiophen-2-ylpropylamino)ethanol
PubChem CID63294773
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-cyclopropyl-2-(1-thiophen-2-ylpropylamino)ethanol
SMILESCCC(NCC(O)C1CC1)c1cccs1
InChIInChI=1S/C12H19NOS/c1-2-10(12-4-3-7-15-12)13-8-11(14)9-5-6-9/h3-4,7,9-11,13-14H,2,5-6,8H2,1H3
InChIKeyIOOFOLZRIXWQOG-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(1-thiophen-2-ylpropylamino)ethanol?
The IUPAC name of 1-cyclopropyl-2-(1-thiophen-2-ylpropylamino)ethanol (CID 63294773) is 1-cyclopropyl-2-(1-thiophen-2-ylpropylamino)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(1-thiophen-2-ylpropylamino)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(1-thiophen-2-ylpropylamino)ethanol is CCC(NCC(O)C1CC1)c1cccs1.
What is the InChIKey of 1-cyclopropyl-2-(1-thiophen-2-ylpropylamino)ethanol?
The InChIKey is IOOFOLZRIXWQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-2-10(12-4-3-7-15-12)13-8-11(14)9-5-6-9/h3-4,7,9-11,13-14H,2,5-6,8H2,1H3.
What are the key properties of 1-cyclopropyl-2-(1-thiophen-2-ylpropylamino)ethanol?
1-cyclopropyl-2-(1-thiophen-2-ylpropylamino)ethanol has a molecular weight of 225.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(1-thiophen-2-ylpropylamino)ethanol is sourced from PubChem (CID 63294773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).