4-amino-1-(5-methylthiophen-2-yl)pentan-1-one

C10H15NOS — CID 116571604

IUPAC4-amino-1-(5-methylthiophen-2-yl)pentan-1-one
SMILESCc1ccc(C(=O)CCC(C)N)s1
InChIInChI=1S/C10H15NOS/c1-7(11)3-5-9(12)10-6-4-8(2)13-10/h4,6-7H,3,5,11H2,1-2H3
InChIKeyAUROTLNCKJIWNF-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.37
Rot. Bonds4

About 4-amino-1-(5-methylthiophen-2-yl)pentan-1-one

4-amino-1-(5-methylthiophen-2-yl)pentan-1-one (PubChem CID 116571604) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 4-amino-1-(5-methylthiophen-2-yl)pentan-1-one.

Molecular Properties

Compound Name4-amino-1-(5-methylthiophen-2-yl)pentan-1-one
PubChem CID116571604
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name4-amino-1-(5-methylthiophen-2-yl)pentan-1-one
SMILESCc1ccc(C(=O)CCC(C)N)s1
InChIInChI=1S/C10H15NOS/c1-7(11)3-5-9(12)10-6-4-8(2)13-10/h4,6-7H,3,5,11H2,1-2H3
InChIKeyAUROTLNCKJIWNF-UHFFFAOYSA-N
XLogP2.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-methylthiophen-2-yl)pentan-1-one?
The IUPAC name of 4-amino-1-(5-methylthiophen-2-yl)pentan-1-one (CID 116571604) is 4-amino-1-(5-methylthiophen-2-yl)pentan-1-one.
What is the SMILES notation for 4-amino-1-(5-methylthiophen-2-yl)pentan-1-one?
The canonical SMILES for 4-amino-1-(5-methylthiophen-2-yl)pentan-1-one is Cc1ccc(C(=O)CCC(C)N)s1.
What is the InChIKey of 4-amino-1-(5-methylthiophen-2-yl)pentan-1-one?
The InChIKey is AUROTLNCKJIWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-7(11)3-5-9(12)10-6-4-8(2)13-10/h4,6-7H,3,5,11H2,1-2H3.
What are the key properties of 4-amino-1-(5-methylthiophen-2-yl)pentan-1-one?
4-amino-1-(5-methylthiophen-2-yl)pentan-1-one has a molecular weight of 197.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-methylthiophen-2-yl)pentan-1-one is sourced from PubChem (CID 116571604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).