[2-[(R)-(4-chlorophenyl)-hydroxymethyl]thiophen-3-yl]methylazanium

C12H13ClNOS+ — CID 6946772

IUPAC[2-[(R)-(4-chlorophenyl)-hydroxymethyl]thiophen-3-yl]methylazanium
SMILES[NH3+]Cc1ccsc1[C@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClNOS/c13-10-3-1-8(2-4-10)11(15)12-9(7-14)5-6-16-12/h1-6,11,15H,7,14H2/p+1/t11-/m1/s1
InChIKeyNJQAGEOXMXOTIP-LLVKDONJSA-O
MW254.76 g/mol
LogP2.23
Rot. Bonds3

About [2-[(R)-(4-chlorophenyl)-hydroxymethyl]thiophen-3-yl]methylazanium

[2-[(R)-(4-chlorophenyl)-hydroxymethyl]thiophen-3-yl]methylazanium (PubChem CID 6946772) has the molecular formula C12H13ClNOS+ and a molecular weight of 254.76 g/mol. Its IUPAC name is [2-[(R)-(4-chlorophenyl)-hydroxymethyl]thiophen-3-yl]methylazanium.

Molecular Properties

Compound Name[2-[(R)-(4-chlorophenyl)-hydroxymethyl]thiophen-3-yl]methylazanium
PubChem CID6946772
Molecular FormulaC12H13ClNOS+
Molecular Weight254.76 g/mol
Exact Mass254.04
IUPAC Name[2-[(R)-(4-chlorophenyl)-hydroxymethyl]thiophen-3-yl]methylazanium
SMILES[NH3+]Cc1ccsc1[C@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClNOS/c13-10-3-1-8(2-4-10)11(15)12-9(7-14)5-6-16-12/h1-6,11,15H,7,14H2/p+1/t11-/m1/s1
InChIKeyNJQAGEOXMXOTIP-LLVKDONJSA-O
XLogP2.23
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[(R)-(4-chlorophenyl)-hydroxymethyl]thiophen-3-yl]methylazanium?
The IUPAC name of [2-[(R)-(4-chlorophenyl)-hydroxymethyl]thiophen-3-yl]methylazanium (CID 6946772) is [2-[(R)-(4-chlorophenyl)-hydroxymethyl]thiophen-3-yl]methylazanium.
What is the SMILES notation for [2-[(R)-(4-chlorophenyl)-hydroxymethyl]thiophen-3-yl]methylazanium?
The canonical SMILES for [2-[(R)-(4-chlorophenyl)-hydroxymethyl]thiophen-3-yl]methylazanium is [NH3+]Cc1ccsc1[C@H](O)c1ccc(Cl)cc1.
What is the InChIKey of [2-[(R)-(4-chlorophenyl)-hydroxymethyl]thiophen-3-yl]methylazanium?
The InChIKey is NJQAGEOXMXOTIP-LLVKDONJSA-O. The full InChI is InChI=1S/C12H12ClNOS/c13-10-3-1-8(2-4-10)11(15)12-9(7-14)5-6-16-12/h1-6,11,15H,7,14H2/p+1/t11-/m1/s1.
What are the key properties of [2-[(R)-(4-chlorophenyl)-hydroxymethyl]thiophen-3-yl]methylazanium?
[2-[(R)-(4-chlorophenyl)-hydroxymethyl]thiophen-3-yl]methylazanium has a molecular weight of 254.76 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(R)-(4-chlorophenyl)-hydroxymethyl]thiophen-3-yl]methylazanium is sourced from PubChem (CID 6946772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).