5-amino-1-(3-methylthiophen-2-yl)hexan-1-one

C11H17NOS — CID 116610071

IUPAC5-amino-1-(3-methylthiophen-2-yl)hexan-1-one
SMILESCc1ccsc1C(=O)CCCC(C)N
InChIInChI=1S/C11H17NOS/c1-8-6-7-14-11(8)10(13)5-3-4-9(2)12/h6-7,9H,3-5,12H2,1-2H3
InChIKeyILFBPMJPASXJOB-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.76
Rot. Bonds5

About 5-amino-1-(3-methylthiophen-2-yl)hexan-1-one

5-amino-1-(3-methylthiophen-2-yl)hexan-1-one (PubChem CID 116610071) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 5-amino-1-(3-methylthiophen-2-yl)hexan-1-one.

Molecular Properties

Compound Name5-amino-1-(3-methylthiophen-2-yl)hexan-1-one
PubChem CID116610071
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name5-amino-1-(3-methylthiophen-2-yl)hexan-1-one
SMILESCc1ccsc1C(=O)CCCC(C)N
InChIInChI=1S/C11H17NOS/c1-8-6-7-14-11(8)10(13)5-3-4-9(2)12/h6-7,9H,3-5,12H2,1-2H3
InChIKeyILFBPMJPASXJOB-UHFFFAOYSA-N
XLogP2.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-2-methyl-1-(3-methylthiophen-2-yl)heptan-1-one
CID 116574175
1-(3-methylthiophen-2-yl)heptan-1-one
CID 114752163
3-amino-1-(3-methylthiophen-2-yl)hexan-1-one
CID 116607807
5-amino-N-[(3-methylthiophen-2-yl)methyl]hexanamide
CID 82851695
3-methyl-1-(3-methylthiophen-2-yl)hexan-1-one
CID 114968690
1-(3-bromothiophen-2-yl)-5-methylhexan-1-one
CID 115795448
1-(3-methylthiophen-2-yl)-3-phenylpropan-1-one
CID 59179659
1-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutan-1-one
CID 116920360
1-(3-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-one
CID 114972087
3-amino-N-methyl-N-(3-methylthiophen-2-yl)butanamide
CID 115154152
3,5,5-trimethyl-1-(3-methylthiophen-2-yl)hexan-1-one
CID 63492543
5-amino-1-(5-fluoro-2-methylphenyl)hexan-1-one
CID 116610017

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-methylthiophen-2-yl)hexan-1-one?
The IUPAC name of 5-amino-1-(3-methylthiophen-2-yl)hexan-1-one (CID 116610071) is 5-amino-1-(3-methylthiophen-2-yl)hexan-1-one.
What is the SMILES notation for 5-amino-1-(3-methylthiophen-2-yl)hexan-1-one?
The canonical SMILES for 5-amino-1-(3-methylthiophen-2-yl)hexan-1-one is Cc1ccsc1C(=O)CCCC(C)N.
What is the InChIKey of 5-amino-1-(3-methylthiophen-2-yl)hexan-1-one?
The InChIKey is ILFBPMJPASXJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8-6-7-14-11(8)10(13)5-3-4-9(2)12/h6-7,9H,3-5,12H2,1-2H3.
What are the key properties of 5-amino-1-(3-methylthiophen-2-yl)hexan-1-one?
5-amino-1-(3-methylthiophen-2-yl)hexan-1-one has a molecular weight of 211.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-methylthiophen-2-yl)hexan-1-one is sourced from PubChem (CID 116610071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).