(1-aminocyclobutyl)-thiophen-3-ylmethanone

C9H11NOS — CID 116598388

IUPAC(1-aminocyclobutyl)-thiophen-3-ylmethanone
SMILESNC1(C(=O)c2ccsc2)CCC1
InChIInChI=1S/C9H11NOS/c10-9(3-1-4-9)8(11)7-2-5-12-6-7/h2,5-6H,1,3-4,10H2
InChIKeyNGCYEBZFZRXEJI-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.81
Rot. Bonds2

About (1-aminocyclobutyl)-thiophen-3-ylmethanone

(1-aminocyclobutyl)-thiophen-3-ylmethanone (PubChem CID 116598388) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is (1-aminocyclobutyl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(1-aminocyclobutyl)-thiophen-3-ylmethanone
PubChem CID116598388
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name(1-aminocyclobutyl)-thiophen-3-ylmethanone
SMILESNC1(C(=O)c2ccsc2)CCC1
InChIInChI=1S/C9H11NOS/c10-9(3-1-4-9)8(11)7-2-5-12-6-7/h2,5-6H,1,3-4,10H2
InChIKeyNGCYEBZFZRXEJI-UHFFFAOYSA-N
XLogP1.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclobutyl)-thiophen-3-ylmethanone?
The IUPAC name of (1-aminocyclobutyl)-thiophen-3-ylmethanone (CID 116598388) is (1-aminocyclobutyl)-thiophen-3-ylmethanone.
What is the SMILES notation for (1-aminocyclobutyl)-thiophen-3-ylmethanone?
The canonical SMILES for (1-aminocyclobutyl)-thiophen-3-ylmethanone is NC1(C(=O)c2ccsc2)CCC1.
What is the InChIKey of (1-aminocyclobutyl)-thiophen-3-ylmethanone?
The InChIKey is NGCYEBZFZRXEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c10-9(3-1-4-9)8(11)7-2-5-12-6-7/h2,5-6H,1,3-4,10H2.
What are the key properties of (1-aminocyclobutyl)-thiophen-3-ylmethanone?
(1-aminocyclobutyl)-thiophen-3-ylmethanone has a molecular weight of 181.26 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclobutyl)-thiophen-3-ylmethanone is sourced from PubChem (CID 116598388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).