(5-chlorothiophen-2-yl)-(oxan-4-yl)methanamine

C10H14ClNOS — CID 62907566

IUPAC(5-chlorothiophen-2-yl)-(oxan-4-yl)methanamine
SMILESNC(c1ccc(Cl)s1)C1CCOCC1
InChIInChI=1S/C10H14ClNOS/c11-9-2-1-8(14-9)10(12)7-3-5-13-6-4-7/h1-2,7,10H,3-6,12H2
InChIKeyABTXCQHAXKLBIJ-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.83
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(oxan-4-yl)methanamine

(5-chlorothiophen-2-yl)-(oxan-4-yl)methanamine (PubChem CID 62907566) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(oxan-4-yl)methanamine
PubChem CID62907566
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name(5-chlorothiophen-2-yl)-(oxan-4-yl)methanamine
SMILESNC(c1ccc(Cl)s1)C1CCOCC1
InChIInChI=1S/C10H14ClNOS/c11-9-2-1-8(14-9)10(12)7-3-5-13-6-4-7/h1-2,7,10H,3-6,12H2
InChIKeyABTXCQHAXKLBIJ-UHFFFAOYSA-N
XLogP2.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(oxan-4-yl)methanamine?
The IUPAC name of (5-chlorothiophen-2-yl)-(oxan-4-yl)methanamine (CID 62907566) is (5-chlorothiophen-2-yl)-(oxan-4-yl)methanamine.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(oxan-4-yl)methanamine?
The canonical SMILES for (5-chlorothiophen-2-yl)-(oxan-4-yl)methanamine is NC(c1ccc(Cl)s1)C1CCOCC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(oxan-4-yl)methanamine?
The InChIKey is ABTXCQHAXKLBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c11-9-2-1-8(14-9)10(12)7-3-5-13-6-4-7/h1-2,7,10H,3-6,12H2.
What are the key properties of (5-chlorothiophen-2-yl)-(oxan-4-yl)methanamine?
(5-chlorothiophen-2-yl)-(oxan-4-yl)methanamine has a molecular weight of 231.75 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(oxan-4-yl)methanamine is sourced from PubChem (CID 62907566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).