5-amino-5-thiophen-2-ylpentan-2-one

C9H13NOS — CID 116940647

IUPAC5-amino-5-thiophen-2-ylpentan-2-one
SMILESCC(=O)CCC(N)c1cccs1
InChIInChI=1S/C9H13NOS/c1-7(11)4-5-8(10)9-3-2-6-12-9/h2-3,6,8H,4-5,10H2,1H3
InChIKeyGLSSBOBYYHWNNS-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.12
Rot. Bonds4

About 5-amino-5-thiophen-2-ylpentan-2-one

5-amino-5-thiophen-2-ylpentan-2-one (PubChem CID 116940647) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 5-amino-5-thiophen-2-ylpentan-2-one.

Molecular Properties

Compound Name5-amino-5-thiophen-2-ylpentan-2-one
PubChem CID116940647
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name5-amino-5-thiophen-2-ylpentan-2-one
SMILESCC(=O)CCC(N)c1cccs1
InChIInChI=1S/C9H13NOS/c1-7(11)4-5-8(10)9-3-2-6-12-9/h2-3,6,8H,4-5,10H2,1H3
InChIKeyGLSSBOBYYHWNNS-UHFFFAOYSA-N
XLogP2.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-amino-4-thiophen-2-ylbutanoic acid
CID 28744265
4-amino-4-thiophen-2-ylbutanamide
CID 60860619
4-amino-4-thiophen-2-ylbutanoic acid
CID 21318673
(1S)-1-thiophen-2-ylpropane-1,3-diamine
CID 130817446
ethyl 6-amino-6-thiophen-2-ylhexanoate
CID 60862649
3-amino-3-thiophen-2-ylpropane-1-thiol
CID 116831185
1-amino-1-thiophen-2-ylpropan-2-one
CID 55294508
N'-methyl-1-thiophen-2-ylpropane-1,3-diamine
CID 74600564
5-amino-5-(5-bromothiophen-2-yl)pentan-2-one
CID 116940683
4-thiophen-2-ylheptane-2,6-dione
CID 135077736
1-thiophen-2-ylundecan-1-amine
CID 63414388
1-thiophen-2-yloctan-1-amine
CID 22115201

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-thiophen-2-ylpentan-2-one?
The IUPAC name of 5-amino-5-thiophen-2-ylpentan-2-one (CID 116940647) is 5-amino-5-thiophen-2-ylpentan-2-one.
What is the SMILES notation for 5-amino-5-thiophen-2-ylpentan-2-one?
The canonical SMILES for 5-amino-5-thiophen-2-ylpentan-2-one is CC(=O)CCC(N)c1cccs1.
What is the InChIKey of 5-amino-5-thiophen-2-ylpentan-2-one?
The InChIKey is GLSSBOBYYHWNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-7(11)4-5-8(10)9-3-2-6-12-9/h2-3,6,8H,4-5,10H2,1H3.
What are the key properties of 5-amino-5-thiophen-2-ylpentan-2-one?
5-amino-5-thiophen-2-ylpentan-2-one has a molecular weight of 183.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-thiophen-2-ylpentan-2-one is sourced from PubChem (CID 116940647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).