3-(5-chlorothiophen-2-yl)-N-methylcyclobutan-1-amine;hydrochloride

C9H13Cl2NS — CID 138991258

IUPAC3-(5-chlorothiophen-2-yl)-N-methylcyclobutan-1-amine;hydrochloride
SMILESCNC1CC(c2ccc(Cl)s2)C1.Cl
InChIInChI=1S/C9H12ClNS.ClH/c1-11-7-4-6(5-7)8-2-3-9(10)12-8;/h2-3,6-7,11H,4-5H2,1H3;1H
InChIKeyFSLAGVVMNJABPP-UHFFFAOYSA-N
MW238.18 g/mol
LogP3.29
Rot. Bonds2

About 3-(5-chlorothiophen-2-yl)-N-methylcyclobutan-1-amine;hydrochloride

3-(5-chlorothiophen-2-yl)-N-methylcyclobutan-1-amine;hydrochloride (PubChem CID 138991258) has the molecular formula C9H13Cl2NS and a molecular weight of 238.18 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-methylcyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-methylcyclobutan-1-amine;hydrochloride
PubChem CID138991258
Molecular FormulaC9H13Cl2NS
Molecular Weight238.18 g/mol
Exact Mass237.01
IUPAC Name3-(5-chlorothiophen-2-yl)-N-methylcyclobutan-1-amine;hydrochloride
SMILESCNC1CC(c2ccc(Cl)s2)C1.Cl
InChIInChI=1S/C9H12ClNS.ClH/c1-11-7-4-6(5-7)8-2-3-9(10)12-8;/h2-3,6-7,11H,4-5H2,1H3;1H
InChIKeyFSLAGVVMNJABPP-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-methylcyclobutan-1-amine;hydrochloride?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-methylcyclobutan-1-amine;hydrochloride (CID 138991258) is 3-(5-chlorothiophen-2-yl)-N-methylcyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-methylcyclobutan-1-amine;hydrochloride?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-methylcyclobutan-1-amine;hydrochloride is CNC1CC(c2ccc(Cl)s2)C1.Cl.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-methylcyclobutan-1-amine;hydrochloride?
The InChIKey is FSLAGVVMNJABPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNS.ClH/c1-11-7-4-6(5-7)8-2-3-9(10)12-8;/h2-3,6-7,11H,4-5H2,1H3;1H.
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-methylcyclobutan-1-amine;hydrochloride?
3-(5-chlorothiophen-2-yl)-N-methylcyclobutan-1-amine;hydrochloride has a molecular weight of 238.18 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-methylcyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 138991258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).