3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-one

C11H16ClNOS — CID 116611485

IUPAC3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-one
SMILESCC(C)(C)C(N)C(=O)Cc1ccc(Cl)s1
InChIInChI=1S/C11H16ClNOS/c1-11(2,3)10(13)8(14)6-7-4-5-9(12)15-7/h4-5,10H,6,13H2,1-3H3
InChIKeyRLCNNZUCHFNGIT-UHFFFAOYSA-N
MW245.77 g/mol
LogP2.89
Rot. Bonds3

About 3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-one

3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-one (PubChem CID 116611485) has the molecular formula C11H16ClNOS and a molecular weight of 245.77 g/mol. Its IUPAC name is 3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-one.

Molecular Properties

Compound Name3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-one
PubChem CID116611485
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC Name3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-one
SMILESCC(C)(C)C(N)C(=O)Cc1ccc(Cl)s1
InChIInChI=1S/C11H16ClNOS/c1-11(2,3)10(13)8(14)6-7-4-5-9(12)15-7/h4-5,10H,6,13H2,1-3H3
InChIKeyRLCNNZUCHFNGIT-UHFFFAOYSA-N
XLogP2.89
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.77
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,3-dimethylbutanamide
CID 61163680
1-(5-chlorothiophen-2-yl)-3-ethoxypentan-2-one
CID 116707702
1-amino-3-(5-chlorothiophen-2-yl)-1-thiophen-2-ylpropan-2-one
CID 116601595
3-(aminomethyl)-1-(5-chlorothiophen-2-yl)-5-methylhexan-2-one
CID 116597969
1-amino-3-(5-chlorothiophen-2-yl)-1-(1-methylpyrazol-4-yl)propan-2-one
CID 116604948
1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-amine
CID 63891076
ethyl 2-amino-3-(5-chlorothiophen-2-yl)propanoate
CID 62962765
(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutanamide
CID 103928730
1-(4-tert-butylcyclohexyl)-2-(5-chlorothiophen-2-yl)ethanone
CID 65402113
4-(tert-butylamino)-1-(5-chlorothiophen-2-yl)butan-2-one
CID 116557955
3-amino-1-(2-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-one
CID 116611484
tert-butyl (5-chlorothiophen-2-yl)methyl carbonate
CID 175192164

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-one?
The IUPAC name of 3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-one (CID 116611485) is 3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-one.
What is the SMILES notation for 3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-one?
The canonical SMILES for 3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-one is CC(C)(C)C(N)C(=O)Cc1ccc(Cl)s1.
What is the InChIKey of 3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-one?
The InChIKey is RLCNNZUCHFNGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-11(2,3)10(13)8(14)6-7-4-5-9(12)15-7/h4-5,10H,6,13H2,1-3H3.
What are the key properties of 3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-one?
3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-one has a molecular weight of 245.77 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-one is sourced from PubChem (CID 116611485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).