[3-[(3-chlorothiophen-2-yl)methyl]azetidin-3-yl]methanol

C9H12ClNOS — CID 130806309

IUPAC[3-[(3-chlorothiophen-2-yl)methyl]azetidin-3-yl]methanol
SMILESOCC1(Cc2sccc2Cl)CNC1
InChIInChI=1S/C9H12ClNOS/c10-7-1-2-13-8(7)3-9(6-12)4-11-5-9/h1-2,11-12H,3-6H2
InChIKeyQFRIIXAZCFCQOM-UHFFFAOYSA-N
MW217.72 g/mol
LogP1.53
Rot. Bonds3

About [3-[(3-chlorothiophen-2-yl)methyl]azetidin-3-yl]methanol

[3-[(3-chlorothiophen-2-yl)methyl]azetidin-3-yl]methanol (PubChem CID 130806309) has the molecular formula C9H12ClNOS and a molecular weight of 217.72 g/mol. Its IUPAC name is [3-[(3-chlorothiophen-2-yl)methyl]azetidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(3-chlorothiophen-2-yl)methyl]azetidin-3-yl]methanol
PubChem CID130806309
Molecular FormulaC9H12ClNOS
Molecular Weight217.72 g/mol
Exact Mass217.03
IUPAC Name[3-[(3-chlorothiophen-2-yl)methyl]azetidin-3-yl]methanol
SMILESOCC1(Cc2sccc2Cl)CNC1
InChIInChI=1S/C9H12ClNOS/c10-7-1-2-13-8(7)3-9(6-12)4-11-5-9/h1-2,11-12H,3-6H2
InChIKeyQFRIIXAZCFCQOM-UHFFFAOYSA-N
XLogP1.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-chlorothiophen-2-yl)methyl]azetidin-3-yl]methanol?
The IUPAC name of [3-[(3-chlorothiophen-2-yl)methyl]azetidin-3-yl]methanol (CID 130806309) is [3-[(3-chlorothiophen-2-yl)methyl]azetidin-3-yl]methanol.
What is the SMILES notation for [3-[(3-chlorothiophen-2-yl)methyl]azetidin-3-yl]methanol?
The canonical SMILES for [3-[(3-chlorothiophen-2-yl)methyl]azetidin-3-yl]methanol is OCC1(Cc2sccc2Cl)CNC1.
What is the InChIKey of [3-[(3-chlorothiophen-2-yl)methyl]azetidin-3-yl]methanol?
The InChIKey is QFRIIXAZCFCQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNOS/c10-7-1-2-13-8(7)3-9(6-12)4-11-5-9/h1-2,11-12H,3-6H2.
What are the key properties of [3-[(3-chlorothiophen-2-yl)methyl]azetidin-3-yl]methanol?
[3-[(3-chlorothiophen-2-yl)methyl]azetidin-3-yl]methanol has a molecular weight of 217.72 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chlorothiophen-2-yl)methyl]azetidin-3-yl]methanol is sourced from PubChem (CID 130806309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).