2-[2-oxo-4-(thiophen-2-ylmethylsulfanyl)azetidin-1-yl]acetamide

C10H12N2O2S2 — CID 142631268

IUPAC2-[2-oxo-4-(thiophen-2-ylmethylsulfanyl)azetidin-1-yl]acetamide
SMILESNC(=O)CN1C(=O)CC1SCc1cccs1
InChIInChI=1S/C10H12N2O2S2/c11-8(13)5-12-9(14)4-10(12)16-6-7-2-1-3-15-7/h1-3,10H,4-6H2,(H2,11,13)
InChIKeyBKTYIYUMSDWWPJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.02
Rot. Bonds5

About 2-[2-oxo-4-(thiophen-2-ylmethylsulfanyl)azetidin-1-yl]acetamide

2-[2-oxo-4-(thiophen-2-ylmethylsulfanyl)azetidin-1-yl]acetamide (PubChem CID 142631268) has the molecular formula C10H12N2O2S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[2-oxo-4-(thiophen-2-ylmethylsulfanyl)azetidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-oxo-4-(thiophen-2-ylmethylsulfanyl)azetidin-1-yl]acetamide
PubChem CID142631268
Molecular FormulaC10H12N2O2S2
Molecular Weight256.35 g/mol
Exact Mass256.03
IUPAC Name2-[2-oxo-4-(thiophen-2-ylmethylsulfanyl)azetidin-1-yl]acetamide
SMILESNC(=O)CN1C(=O)CC1SCc1cccs1
InChIInChI=1S/C10H12N2O2S2/c11-8(13)5-12-9(14)4-10(12)16-6-7-2-1-3-15-7/h1-3,10H,4-6H2,(H2,11,13)
InChIKeyBKTYIYUMSDWWPJ-UHFFFAOYSA-N
XLogP1.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(thiophen-2-ylmethylsulfanyl)azetidin-2-one
CID 54187790
1-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 16909165
2-[(2-amino-2-oxoethyl)-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid
CID 107434133
2-(cyclopentylsulfanylmethyl)thiophene
CID 130677399
N'-hydroxy-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboximidamide
CID 138111652
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide
CID 134047770
2-[methyl-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid
CID 43239816
2-[3,6-dioxo-1,4-bis(2-thiophen-2-ylethyl)piperazin-2-yl]acetic acid
CID 68746029
3-(2-aminoethylsulfanyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
CID 2983430
methyl (3S)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylate
CID 6932471
N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 60645758
(2S)-2-amino-3-(thiophen-2-ylmethylsulfanyl)propanoic acid
CID 36690947

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-4-(thiophen-2-ylmethylsulfanyl)azetidin-1-yl]acetamide?
The IUPAC name of 2-[2-oxo-4-(thiophen-2-ylmethylsulfanyl)azetidin-1-yl]acetamide (CID 142631268) is 2-[2-oxo-4-(thiophen-2-ylmethylsulfanyl)azetidin-1-yl]acetamide.
What is the SMILES notation for 2-[2-oxo-4-(thiophen-2-ylmethylsulfanyl)azetidin-1-yl]acetamide?
The canonical SMILES for 2-[2-oxo-4-(thiophen-2-ylmethylsulfanyl)azetidin-1-yl]acetamide is NC(=O)CN1C(=O)CC1SCc1cccs1.
What is the InChIKey of 2-[2-oxo-4-(thiophen-2-ylmethylsulfanyl)azetidin-1-yl]acetamide?
The InChIKey is BKTYIYUMSDWWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S2/c11-8(13)5-12-9(14)4-10(12)16-6-7-2-1-3-15-7/h1-3,10H,4-6H2,(H2,11,13).
What are the key properties of 2-[2-oxo-4-(thiophen-2-ylmethylsulfanyl)azetidin-1-yl]acetamide?
2-[2-oxo-4-(thiophen-2-ylmethylsulfanyl)azetidin-1-yl]acetamide has a molecular weight of 256.35 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-4-(thiophen-2-ylmethylsulfanyl)azetidin-1-yl]acetamide is sourced from PubChem (CID 142631268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).