(2-amino-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-3-yl)-phenylmethanone

C14H15NOS — CID 57105838

IUPAC(2-amino-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-3-yl)-phenylmethanone
SMILESNC1=C(C(=O)c2ccccc2)C2CCCC2S1
InChIInChI=1S/C14H15NOS/c15-14-12(10-7-4-8-11(10)17-14)13(16)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8,15H2
InChIKeyRSFDQZSZDXZWJG-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.96
Rot. Bonds2

About (2-amino-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-3-yl)-phenylmethanone

(2-amino-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-3-yl)-phenylmethanone (PubChem CID 57105838) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is (2-amino-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-amino-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-3-yl)-phenylmethanone
PubChem CID57105838
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name(2-amino-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-3-yl)-phenylmethanone
SMILESNC1=C(C(=O)c2ccccc2)C2CCCC2S1
InChIInChI=1S/C14H15NOS/c15-14-12(10-7-4-8-11(10)17-14)13(16)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8,15H2
InChIKeyRSFDQZSZDXZWJG-UHFFFAOYSA-N
XLogP2.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-3-yl)-phenylmethanone?
The IUPAC name of (2-amino-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-3-yl)-phenylmethanone (CID 57105838) is (2-amino-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-3-yl)-phenylmethanone.
What is the SMILES notation for (2-amino-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-3-yl)-phenylmethanone?
The canonical SMILES for (2-amino-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-3-yl)-phenylmethanone is NC1=C(C(=O)c2ccccc2)C2CCCC2S1.
What is the InChIKey of (2-amino-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-3-yl)-phenylmethanone?
The InChIKey is RSFDQZSZDXZWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c15-14-12(10-7-4-8-11(10)17-14)13(16)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8,15H2.
What are the key properties of (2-amino-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-3-yl)-phenylmethanone?
(2-amino-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-3-yl)-phenylmethanone has a molecular weight of 245.35 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-3-yl)-phenylmethanone is sourced from PubChem (CID 57105838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).