N-[(5-chlorothiophen-3-yl)methyl]-3,3-dimethylcyclobutan-1-amine

C11H16ClNS — CID 130891619

IUPACN-[(5-chlorothiophen-3-yl)methyl]-3,3-dimethylcyclobutan-1-amine
SMILESCC1(C)CC(NCc2csc(Cl)c2)C1
InChIInChI=1S/C11H16ClNS/c1-11(2)4-9(5-11)13-6-8-3-10(12)14-7-8/h3,7,9,13H,4-6H2,1-2H3
InChIKeyAUMGCQLQLUYUGV-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.68
Rot. Bonds3

About N-[(5-chlorothiophen-3-yl)methyl]-3,3-dimethylcyclobutan-1-amine

N-[(5-chlorothiophen-3-yl)methyl]-3,3-dimethylcyclobutan-1-amine (PubChem CID 130891619) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is N-[(5-chlorothiophen-3-yl)methyl]-3,3-dimethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-3-yl)methyl]-3,3-dimethylcyclobutan-1-amine
PubChem CID130891619
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC NameN-[(5-chlorothiophen-3-yl)methyl]-3,3-dimethylcyclobutan-1-amine
SMILESCC1(C)CC(NCc2csc(Cl)c2)C1
InChIInChI=1S/C11H16ClNS/c1-11(2)4-9(5-11)13-6-8-3-10(12)14-7-8/h3,7,9,13H,4-6H2,1-2H3
InChIKeyAUMGCQLQLUYUGV-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-3-yl)methyl]-3,3-dimethylcyclobutan-1-amine?
The IUPAC name of N-[(5-chlorothiophen-3-yl)methyl]-3,3-dimethylcyclobutan-1-amine (CID 130891619) is N-[(5-chlorothiophen-3-yl)methyl]-3,3-dimethylcyclobutan-1-amine.
What is the SMILES notation for N-[(5-chlorothiophen-3-yl)methyl]-3,3-dimethylcyclobutan-1-amine?
The canonical SMILES for N-[(5-chlorothiophen-3-yl)methyl]-3,3-dimethylcyclobutan-1-amine is CC1(C)CC(NCc2csc(Cl)c2)C1.
What is the InChIKey of N-[(5-chlorothiophen-3-yl)methyl]-3,3-dimethylcyclobutan-1-amine?
The InChIKey is AUMGCQLQLUYUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c1-11(2)4-9(5-11)13-6-8-3-10(12)14-7-8/h3,7,9,13H,4-6H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-3-yl)methyl]-3,3-dimethylcyclobutan-1-amine?
N-[(5-chlorothiophen-3-yl)methyl]-3,3-dimethylcyclobutan-1-amine has a molecular weight of 229.78 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-3-yl)methyl]-3,3-dimethylcyclobutan-1-amine is sourced from PubChem (CID 130891619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).