[3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methanamine

C10H14ClNOS — CID 62726337

IUPAC[3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methanamine
SMILESNCC1(Cc2ccc(Cl)s2)CCOC1
InChIInChI=1S/C10H14ClNOS/c11-9-2-1-8(14-9)5-10(6-12)3-4-13-7-10/h1-2H,3-7,12H2
InChIKeyGDOMTKCHRFGBCU-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.31
Rot. Bonds3

About [3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methanamine

[3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methanamine (PubChem CID 62726337) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is [3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methanamine
PubChem CID62726337
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name[3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methanamine
SMILESNCC1(Cc2ccc(Cl)s2)CCOC1
InChIInChI=1S/C10H14ClNOS/c11-9-2-1-8(14-9)5-10(6-12)3-4-13-7-10/h1-2H,3-7,12H2
InChIKeyGDOMTKCHRFGBCU-UHFFFAOYSA-N
XLogP2.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methanamine?
The IUPAC name of [3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methanamine (CID 62726337) is [3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methanamine.
What is the SMILES notation for [3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methanamine?
The canonical SMILES for [3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methanamine is NCC1(Cc2ccc(Cl)s2)CCOC1.
What is the InChIKey of [3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methanamine?
The InChIKey is GDOMTKCHRFGBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c11-9-2-1-8(14-9)5-10(6-12)3-4-13-7-10/h1-2H,3-7,12H2.
What are the key properties of [3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methanamine?
[3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methanamine has a molecular weight of 231.75 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methanamine is sourced from PubChem (CID 62726337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).