3-(1-benzothiophen-2-yl)-N,2,2-trimethylcyclobutan-1-amine

C15H19NS — CID 114911379

IUPAC3-(1-benzothiophen-2-yl)-N,2,2-trimethylcyclobutan-1-amine
SMILESCNC1CC(c2cc3ccccc3s2)C1(C)C
InChIInChI=1S/C15H19NS/c1-15(2)11(9-14(15)16-3)13-8-10-6-4-5-7-12(10)17-13/h4-8,11,14,16H,9H2,1-3H3
InChIKeyMHYKFSKZVKKSCS-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.00
Rot. Bonds2

About 3-(1-benzothiophen-2-yl)-N,2,2-trimethylcyclobutan-1-amine

3-(1-benzothiophen-2-yl)-N,2,2-trimethylcyclobutan-1-amine (PubChem CID 114911379) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-N,2,2-trimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-N,2,2-trimethylcyclobutan-1-amine
PubChem CID114911379
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name3-(1-benzothiophen-2-yl)-N,2,2-trimethylcyclobutan-1-amine
SMILESCNC1CC(c2cc3ccccc3s2)C1(C)C
InChIInChI=1S/C15H19NS/c1-15(2)11(9-14(15)16-3)13-8-10-6-4-5-7-12(10)17-13/h4-8,11,14,16H,9H2,1-3H3
InChIKeyMHYKFSKZVKKSCS-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-N,2,2-trimethylcyclobutan-1-amine?
The IUPAC name of 3-(1-benzothiophen-2-yl)-N,2,2-trimethylcyclobutan-1-amine (CID 114911379) is 3-(1-benzothiophen-2-yl)-N,2,2-trimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-N,2,2-trimethylcyclobutan-1-amine?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-N,2,2-trimethylcyclobutan-1-amine is CNC1CC(c2cc3ccccc3s2)C1(C)C.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-N,2,2-trimethylcyclobutan-1-amine?
The InChIKey is MHYKFSKZVKKSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-15(2)11(9-14(15)16-3)13-8-10-6-4-5-7-12(10)17-13/h4-8,11,14,16H,9H2,1-3H3.
What are the key properties of 3-(1-benzothiophen-2-yl)-N,2,2-trimethylcyclobutan-1-amine?
3-(1-benzothiophen-2-yl)-N,2,2-trimethylcyclobutan-1-amine has a molecular weight of 245.39 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-N,2,2-trimethylcyclobutan-1-amine is sourced from PubChem (CID 114911379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).