2-(azetidin-3-ylmethylsulfanyl)-N-carbamoylacetamide

C7H13N3O2S — CID 66289497

IUPAC2-(azetidin-3-ylmethylsulfanyl)-N-carbamoylacetamide
SMILESNC(=O)NC(=O)CSCC1CNC1
InChIInChI=1S/C7H13N3O2S/c8-7(12)10-6(11)4-13-3-5-1-9-2-5/h5,9H,1-4H2,(H3,8,10,11,12)
InChIKeyHDQXLHUCLFWTDI-UHFFFAOYSA-N
MW203.27 g/mol
LogP-0.87
Rot. Bonds4

About 2-(azetidin-3-ylmethylsulfanyl)-N-carbamoylacetamide

2-(azetidin-3-ylmethylsulfanyl)-N-carbamoylacetamide (PubChem CID 66289497) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethylsulfanyl)-N-carbamoylacetamide.

Molecular Properties

Compound Name2-(azetidin-3-ylmethylsulfanyl)-N-carbamoylacetamide
PubChem CID66289497
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name2-(azetidin-3-ylmethylsulfanyl)-N-carbamoylacetamide
SMILESNC(=O)NC(=O)CSCC1CNC1
InChIInChI=1S/C7H13N3O2S/c8-7(12)10-6(11)4-13-3-5-1-9-2-5/h5,9H,1-4H2,(H3,8,10,11,12)
InChIKeyHDQXLHUCLFWTDI-UHFFFAOYSA-N
XLogP-0.87
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethylsulfanyl)-N-carbamoylacetamide?
The IUPAC name of 2-(azetidin-3-ylmethylsulfanyl)-N-carbamoylacetamide (CID 66289497) is 2-(azetidin-3-ylmethylsulfanyl)-N-carbamoylacetamide.
What is the SMILES notation for 2-(azetidin-3-ylmethylsulfanyl)-N-carbamoylacetamide?
The canonical SMILES for 2-(azetidin-3-ylmethylsulfanyl)-N-carbamoylacetamide is NC(=O)NC(=O)CSCC1CNC1.
What is the InChIKey of 2-(azetidin-3-ylmethylsulfanyl)-N-carbamoylacetamide?
The InChIKey is HDQXLHUCLFWTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c8-7(12)10-6(11)4-13-3-5-1-9-2-5/h5,9H,1-4H2,(H3,8,10,11,12).
What are the key properties of 2-(azetidin-3-ylmethylsulfanyl)-N-carbamoylacetamide?
2-(azetidin-3-ylmethylsulfanyl)-N-carbamoylacetamide has a molecular weight of 203.27 g/mol, XLogP of -0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethylsulfanyl)-N-carbamoylacetamide is sourced from PubChem (CID 66289497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).