4-amino-1-thiophen-3-ylheptan-2-one

C11H17NOS — CID 116607941

IUPAC4-amino-1-thiophen-3-ylheptan-2-one
SMILESCCCC(N)CC(=O)Cc1ccsc1
InChIInChI=1S/C11H17NOS/c1-2-3-10(12)7-11(13)6-9-4-5-14-8-9/h4-5,8,10H,2-3,6-7,12H2,1H3
InChIKeyMHNNNLDQOYCUPS-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.38
Rot. Bonds6

About 4-amino-1-thiophen-3-ylheptan-2-one

4-amino-1-thiophen-3-ylheptan-2-one (PubChem CID 116607941) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 4-amino-1-thiophen-3-ylheptan-2-one.

Molecular Properties

Compound Name4-amino-1-thiophen-3-ylheptan-2-one
PubChem CID116607941
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name4-amino-1-thiophen-3-ylheptan-2-one
SMILESCCCC(N)CC(=O)Cc1ccsc1
InChIInChI=1S/C11H17NOS/c1-2-3-10(12)7-11(13)6-9-4-5-14-8-9/h4-5,8,10H,2-3,6-7,12H2,1H3
InChIKeyMHNNNLDQOYCUPS-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-methyl-1-thiophen-3-ylhexan-2-one
CID 116606372
4-amino-1-(3,4-dimethylphenyl)heptan-2-one
CID 116607937
2-(2-thiophen-3-ylacetyl)pentanehydrazide
CID 141017390
3-amino-4-methoxy-1-thiophen-3-ylbutan-2-one
CID 116594135
4-amino-1-(4-hydroxyphenyl)hexan-2-one
CID 116609109
4-amino-1-(3-bromo-5-fluorophenyl)heptan-2-one
CID 116607811
[(2S)-2-methylbutyl] 2-thiophen-3-ylacetate
CID 101245181
5-aminooctan-3-one
CID 116607745
N-(1-amino-1-sulfanylidenepentan-3-yl)-2-thiophen-3-ylacetamide
CID 62652889
4-methyl-1-thiophen-3-ylheptan-3-one
CID 114972135
4-amino-1-thiophen-3-ylheptan-3-ol
CID 83927744
2-[[(2-thiophen-3-ylacetyl)amino]methyl]butanoic acid
CID 65219165

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-thiophen-3-ylheptan-2-one?
The IUPAC name of 4-amino-1-thiophen-3-ylheptan-2-one (CID 116607941) is 4-amino-1-thiophen-3-ylheptan-2-one.
What is the SMILES notation for 4-amino-1-thiophen-3-ylheptan-2-one?
The canonical SMILES for 4-amino-1-thiophen-3-ylheptan-2-one is CCCC(N)CC(=O)Cc1ccsc1.
What is the InChIKey of 4-amino-1-thiophen-3-ylheptan-2-one?
The InChIKey is MHNNNLDQOYCUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-2-3-10(12)7-11(13)6-9-4-5-14-8-9/h4-5,8,10H,2-3,6-7,12H2,1H3.
What are the key properties of 4-amino-1-thiophen-3-ylheptan-2-one?
4-amino-1-thiophen-3-ylheptan-2-one has a molecular weight of 211.33 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-thiophen-3-ylheptan-2-one is sourced from PubChem (CID 116607941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).