[4-(aminomethyl)oxan-4-yl]-(5-chlorothiophen-2-yl)methanol

C11H16ClNO2S — CID 79138820

IUPAC[4-(aminomethyl)oxan-4-yl]-(5-chlorothiophen-2-yl)methanol
SMILESNCC1(C(O)c2ccc(Cl)s2)CCOCC1
InChIInChI=1S/C11H16ClNO2S/c12-9-2-1-8(16-9)10(14)11(7-13)3-5-15-6-4-11/h1-2,10,14H,3-7,13H2
InChIKeyZHPXFJOVAXXAID-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.19
Rot. Bonds3

About [4-(aminomethyl)oxan-4-yl]-(5-chlorothiophen-2-yl)methanol

[4-(aminomethyl)oxan-4-yl]-(5-chlorothiophen-2-yl)methanol (PubChem CID 79138820) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-(5-chlorothiophen-2-yl)methanol.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-(5-chlorothiophen-2-yl)methanol
PubChem CID79138820
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name[4-(aminomethyl)oxan-4-yl]-(5-chlorothiophen-2-yl)methanol
SMILESNCC1(C(O)c2ccc(Cl)s2)CCOCC1
InChIInChI=1S/C11H16ClNO2S/c12-9-2-1-8(16-9)10(14)11(7-13)3-5-15-6-4-11/h1-2,10,14H,3-7,13H2
InChIKeyZHPXFJOVAXXAID-UHFFFAOYSA-N
XLogP2.19
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-(5-chlorothiophen-2-yl)methanol?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-(5-chlorothiophen-2-yl)methanol (CID 79138820) is [4-(aminomethyl)oxan-4-yl]-(5-chlorothiophen-2-yl)methanol.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-(5-chlorothiophen-2-yl)methanol?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-(5-chlorothiophen-2-yl)methanol is NCC1(C(O)c2ccc(Cl)s2)CCOCC1.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-(5-chlorothiophen-2-yl)methanol?
The InChIKey is ZHPXFJOVAXXAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c12-9-2-1-8(16-9)10(14)11(7-13)3-5-15-6-4-11/h1-2,10,14H,3-7,13H2.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-(5-chlorothiophen-2-yl)methanol?
[4-(aminomethyl)oxan-4-yl]-(5-chlorothiophen-2-yl)methanol has a molecular weight of 261.77 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-(5-chlorothiophen-2-yl)methanol is sourced from PubChem (CID 79138820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).