6-amino-1-(5-chlorothiophen-2-yl)-4-methylhexan-1-one

C11H16ClNOS — CID 116581530

IUPAC6-amino-1-(5-chlorothiophen-2-yl)-4-methylhexan-1-one
SMILESCC(CCN)CCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNOS/c1-8(6-7-13)2-3-9(14)10-4-5-11(12)15-10/h4-5,8H,2-3,6-7,13H2,1H3
InChIKeyGOWYDADLFNINMM-UHFFFAOYSA-N
MW245.77 g/mol
LogP3.35
Rot. Bonds6

About 6-amino-1-(5-chlorothiophen-2-yl)-4-methylhexan-1-one

6-amino-1-(5-chlorothiophen-2-yl)-4-methylhexan-1-one (PubChem CID 116581530) has the molecular formula C11H16ClNOS and a molecular weight of 245.77 g/mol. Its IUPAC name is 6-amino-1-(5-chlorothiophen-2-yl)-4-methylhexan-1-one.

Molecular Properties

Compound Name6-amino-1-(5-chlorothiophen-2-yl)-4-methylhexan-1-one
PubChem CID116581530
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC Name6-amino-1-(5-chlorothiophen-2-yl)-4-methylhexan-1-one
SMILESCC(CCN)CCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNOS/c1-8(6-7-13)2-3-9(14)10-4-5-11(12)15-10/h4-5,8H,2-3,6-7,13H2,1H3
InChIKeyGOWYDADLFNINMM-UHFFFAOYSA-N
XLogP3.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.77
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(5-chlorothiophen-2-yl)pentan-1-one
CID 116571571
4-amino-1-(5-chlorothiophen-2-yl)-4-methylpentan-1-one
CID 116571258
1-(5-chlorothiophen-2-yl)pentane-1,4-dione
CID 82127105
amino 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 142178615
4-(5-chlorothiophen-2-yl)-N-methoxy-4-oxobutanamide
CID 43054602
1-(5-chlorothiophen-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one
CID 46232018
1-(5-chlorothiophen-2-yl)-3-(diethylamino)propan-1-one
CID 79017302
6-amino-1-(2,6-difluorophenyl)-4-methylhexan-1-one
CID 116581594
1-(5-chlorothiophen-2-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43228210
N-(1-aminopropan-2-yl)-5-chlorothiophene-2-carboxamide
CID 63733398
1-(5-chlorothiophen-2-yl)-2-(2-methylpentoxy)ethanone
CID 103284397
2-[bis(3-methylbutyl)amino]-1-(5-chlorothiophen-2-yl)ethanone
CID 107870518

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(5-chlorothiophen-2-yl)-4-methylhexan-1-one?
The IUPAC name of 6-amino-1-(5-chlorothiophen-2-yl)-4-methylhexan-1-one (CID 116581530) is 6-amino-1-(5-chlorothiophen-2-yl)-4-methylhexan-1-one.
What is the SMILES notation for 6-amino-1-(5-chlorothiophen-2-yl)-4-methylhexan-1-one?
The canonical SMILES for 6-amino-1-(5-chlorothiophen-2-yl)-4-methylhexan-1-one is CC(CCN)CCC(=O)c1ccc(Cl)s1.
What is the InChIKey of 6-amino-1-(5-chlorothiophen-2-yl)-4-methylhexan-1-one?
The InChIKey is GOWYDADLFNINMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-8(6-7-13)2-3-9(14)10-4-5-11(12)15-10/h4-5,8H,2-3,6-7,13H2,1H3.
What are the key properties of 6-amino-1-(5-chlorothiophen-2-yl)-4-methylhexan-1-one?
6-amino-1-(5-chlorothiophen-2-yl)-4-methylhexan-1-one has a molecular weight of 245.77 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(5-chlorothiophen-2-yl)-4-methylhexan-1-one is sourced from PubChem (CID 116581530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).