N-[[3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine

C13H19NOS — CID 62719385

IUPACN-[[3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESc1cc(CC2(CNC3CC3)CCOC2)cs1
InChIInChI=1S/C13H19NOS/c1-2-12(1)14-9-13(4-5-15-10-13)7-11-3-6-16-8-11/h3,6,8,12,14H,1-2,4-5,7,9-10H2
InChIKeyPYUBNTPIOOXKML-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.45
Rot. Bonds5

About N-[[3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine

N-[[3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 62719385) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-[[3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
PubChem CID62719385
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-[[3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESc1cc(CC2(CNC3CC3)CCOC2)cs1
InChIInChI=1S/C13H19NOS/c1-2-12(1)14-9-13(4-5-15-10-13)7-11-3-6-16-8-11/h3,6,8,12,14H,1-2,4-5,7,9-10H2
InChIKeyPYUBNTPIOOXKML-UHFFFAOYSA-N
XLogP2.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine (CID 62719385) is N-[[3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine is c1cc(CC2(CNC3CC3)CCOC2)cs1.
What is the InChIKey of N-[[3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is PYUBNTPIOOXKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-2-12(1)14-9-13(4-5-15-10-13)7-11-3-6-16-8-11/h3,6,8,12,14H,1-2,4-5,7,9-10H2.
What are the key properties of N-[[3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 237.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62719385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).