6-amino-3-methyl-1-thiophen-3-ylhexan-2-one

C11H17NOS — CID 116613568

IUPAC6-amino-3-methyl-1-thiophen-3-ylhexan-2-one
SMILESCC(CCCN)C(=O)Cc1ccsc1
InChIInChI=1S/C11H17NOS/c1-9(3-2-5-12)11(13)7-10-4-6-14-8-10/h4,6,8-9H,2-3,5,7,12H2,1H3
InChIKeyHRSVARSVTTZZAU-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.23
Rot. Bonds6

About 6-amino-3-methyl-1-thiophen-3-ylhexan-2-one

6-amino-3-methyl-1-thiophen-3-ylhexan-2-one (PubChem CID 116613568) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 6-amino-3-methyl-1-thiophen-3-ylhexan-2-one.

Molecular Properties

Compound Name6-amino-3-methyl-1-thiophen-3-ylhexan-2-one
PubChem CID116613568
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name6-amino-3-methyl-1-thiophen-3-ylhexan-2-one
SMILESCC(CCCN)C(=O)Cc1ccsc1
InChIInChI=1S/C11H17NOS/c1-9(3-2-5-12)11(13)7-10-4-6-14-8-10/h4,6,8-9H,2-3,5,7,12H2,1H3
InChIKeyHRSVARSVTTZZAU-UHFFFAOYSA-N
XLogP2.23
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-difluoro-3-thiophen-3-ylpropan-2-one
CID 61055642
2-(2-thiophen-3-ylacetyl)pentanehydrazide
CID 141017390
3-amino-4-methoxy-1-thiophen-3-ylbutan-2-one
CID 116594135
3-ethoxy-4-methyl-1-thiophen-3-ylpentan-2-one
CID 116708767
5-amino-1-(4-chlorophenyl)-3-methylpentan-2-one
CID 116594757
4-methyl-1-thiophen-3-ylheptan-3-one
CID 114972135
3-(azetidin-3-yl)-1-thiophen-3-ylbutan-2-one
CID 116680782
N-(1-amino-2,3-dimethylbutan-2-yl)-2-thiophen-3-ylacetamide
CID 81486253
4-thiophen-3-ylpentan-1-amine
CID 83927705
4-amino-3,3-dimethyl-1-thiophen-3-ylbutan-2-one
CID 116600113
N-(3-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide
CID 115884675
6-amino-1-(2-bromo-5-fluorophenyl)-3-methylhexan-2-one
CID 116613456

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-1-thiophen-3-ylhexan-2-one?
The IUPAC name of 6-amino-3-methyl-1-thiophen-3-ylhexan-2-one (CID 116613568) is 6-amino-3-methyl-1-thiophen-3-ylhexan-2-one.
What is the SMILES notation for 6-amino-3-methyl-1-thiophen-3-ylhexan-2-one?
The canonical SMILES for 6-amino-3-methyl-1-thiophen-3-ylhexan-2-one is CC(CCCN)C(=O)Cc1ccsc1.
What is the InChIKey of 6-amino-3-methyl-1-thiophen-3-ylhexan-2-one?
The InChIKey is HRSVARSVTTZZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9(3-2-5-12)11(13)7-10-4-6-14-8-10/h4,6,8-9H,2-3,5,7,12H2,1H3.
What are the key properties of 6-amino-3-methyl-1-thiophen-3-ylhexan-2-one?
6-amino-3-methyl-1-thiophen-3-ylhexan-2-one has a molecular weight of 211.33 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-1-thiophen-3-ylhexan-2-one is sourced from PubChem (CID 116613568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).