(3R,4S)-3-amino-1,4-dimethyl-4-thiophen-2-ylazetidin-2-one

C9H12N2OS — CID 129451305

IUPAC(3R,4S)-3-amino-1,4-dimethyl-4-thiophen-2-ylazetidin-2-one
SMILESCN1C(=O)[C@H](N)[C@@]1(C)c1cccs1
InChIInChI=1S/C9H12N2OS/c1-9(6-4-3-5-13-6)7(10)8(12)11(9)2/h3-5,7H,10H2,1-2H3/t7-,9+/m0/s1
InChIKeyJLFQTLDGYDZUEU-IONNQARKSA-N
MW196.27 g/mol
LogP0.76
Rot. Bonds1

About (3R,4S)-3-amino-1,4-dimethyl-4-thiophen-2-ylazetidin-2-one

(3R,4S)-3-amino-1,4-dimethyl-4-thiophen-2-ylazetidin-2-one (PubChem CID 129451305) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is (3R,4S)-3-amino-1,4-dimethyl-4-thiophen-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-amino-1,4-dimethyl-4-thiophen-2-ylazetidin-2-one
PubChem CID129451305
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name(3R,4S)-3-amino-1,4-dimethyl-4-thiophen-2-ylazetidin-2-one
SMILESCN1C(=O)[C@H](N)[C@@]1(C)c1cccs1
InChIInChI=1S/C9H12N2OS/c1-9(6-4-3-5-13-6)7(10)8(12)11(9)2/h3-5,7H,10H2,1-2H3/t7-,9+/m0/s1
InChIKeyJLFQTLDGYDZUEU-IONNQARKSA-N
XLogP0.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-3-amino-1,4-dimethyl-4-pyridin-4-ylazetidin-2-one
CID 129451191
1,2-dimethyl-2-thiophen-2-ylpiperidin-4-one
CID 83639401
1,3,6,8-tetramethyl-8a-thiophen-2-yl-4a,5-dihydro-4H-pyrimido[4,5-d]pyrimidine-2,7-dione
CID 102456167
2-methyl-2-thiophen-2-yl-1,3-dioxole
CID 141238164
(5S)-3-ethyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92591093
(5R)-3-cyclopentyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92582827
trans-(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropane-1-carboxylic acid
CID 94252878
3-amino-1-methyl-6-thiophen-2-ylpyridin-2-one
CID 82467248
2-methyl-2-thiophen-2-ylcyclohexan-1-one
CID 54201898
(4S,5R)-5-methyl-4-phenyl-5-thiophen-2-yloxolan-2-one
CID 118886955
(5S)-5-methyl-3-(3-methylbutyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 95142893
(2-ethyl-3,3-dimethyl-2-thiophen-2-ylcyclopropyl)methanamine
CID 130488688

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-1,4-dimethyl-4-thiophen-2-ylazetidin-2-one?
The IUPAC name of (3R,4S)-3-amino-1,4-dimethyl-4-thiophen-2-ylazetidin-2-one (CID 129451305) is (3R,4S)-3-amino-1,4-dimethyl-4-thiophen-2-ylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-amino-1,4-dimethyl-4-thiophen-2-ylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-amino-1,4-dimethyl-4-thiophen-2-ylazetidin-2-one is CN1C(=O)[C@H](N)[C@@]1(C)c1cccs1.
What is the InChIKey of (3R,4S)-3-amino-1,4-dimethyl-4-thiophen-2-ylazetidin-2-one?
The InChIKey is JLFQTLDGYDZUEU-IONNQARKSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-9(6-4-3-5-13-6)7(10)8(12)11(9)2/h3-5,7H,10H2,1-2H3/t7-,9+/m0/s1.
What are the key properties of (3R,4S)-3-amino-1,4-dimethyl-4-thiophen-2-ylazetidin-2-one?
(3R,4S)-3-amino-1,4-dimethyl-4-thiophen-2-ylazetidin-2-one has a molecular weight of 196.27 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-amino-1,4-dimethyl-4-thiophen-2-ylazetidin-2-one is sourced from PubChem (CID 129451305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).