1-(2,3-dihydrothiophen-3-yl)cyclobutan-1-amine

C8H13NS — CID 129056522

IUPAC1-(2,3-dihydrothiophen-3-yl)cyclobutan-1-amine
SMILESNC1(C2C=CSC2)CCC1
InChIInChI=1S/C8H13NS/c9-8(3-1-4-8)7-2-5-10-6-7/h2,5,7H,1,3-4,6,9H2
InChIKeyYFLWKFHFYOAZQW-UHFFFAOYSA-N
MW155.27 g/mol
LogP1.74
Rot. Bonds1

About 1-(2,3-dihydrothiophen-3-yl)cyclobutan-1-amine

1-(2,3-dihydrothiophen-3-yl)cyclobutan-1-amine (PubChem CID 129056522) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 1-(2,3-dihydrothiophen-3-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydrothiophen-3-yl)cyclobutan-1-amine
PubChem CID129056522
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name1-(2,3-dihydrothiophen-3-yl)cyclobutan-1-amine
SMILESNC1(C2C=CSC2)CCC1
InChIInChI=1S/C8H13NS/c9-8(3-1-4-8)7-2-5-10-6-7/h2,5,7H,1,3-4,6,9H2
InChIKeyYFLWKFHFYOAZQW-UHFFFAOYSA-N
XLogP1.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrothiophen-3-yl)cyclobutan-1-amine?
The IUPAC name of 1-(2,3-dihydrothiophen-3-yl)cyclobutan-1-amine (CID 129056522) is 1-(2,3-dihydrothiophen-3-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(2,3-dihydrothiophen-3-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(2,3-dihydrothiophen-3-yl)cyclobutan-1-amine is NC1(C2C=CSC2)CCC1.
What is the InChIKey of 1-(2,3-dihydrothiophen-3-yl)cyclobutan-1-amine?
The InChIKey is YFLWKFHFYOAZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c9-8(3-1-4-8)7-2-5-10-6-7/h2,5,7H,1,3-4,6,9H2.
What are the key properties of 1-(2,3-dihydrothiophen-3-yl)cyclobutan-1-amine?
1-(2,3-dihydrothiophen-3-yl)cyclobutan-1-amine has a molecular weight of 155.27 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrothiophen-3-yl)cyclobutan-1-amine is sourced from PubChem (CID 129056522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).