N-(azetidin-3-yl)-2-methylsulfanylacetamide

C6H12N2OS — CID 66185125

IUPACN-(azetidin-3-yl)-2-methylsulfanylacetamide
SMILESCSCC(=O)NC1CNC1
InChIInChI=1S/C6H12N2OS/c1-10-4-6(9)8-5-2-7-3-5/h5,7H,2-4H2,1H3,(H,8,9)
InChIKeyHMSNHHRGBUZHSQ-UHFFFAOYSA-N
MW160.24 g/mol
LogP-0.56
Rot. Bonds3

About N-(azetidin-3-yl)-2-methylsulfanylacetamide

N-(azetidin-3-yl)-2-methylsulfanylacetamide (PubChem CID 66185125) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-methylsulfanylacetamide
PubChem CID66185125
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC NameN-(azetidin-3-yl)-2-methylsulfanylacetamide
SMILESCSCC(=O)NC1CNC1
InChIInChI=1S/C6H12N2OS/c1-10-4-6(9)8-5-2-7-3-5/h5,7H,2-4H2,1H3,(H,8,9)
InChIKeyHMSNHHRGBUZHSQ-UHFFFAOYSA-N
XLogP-0.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-methylsulfanylacetamide?
The IUPAC name of N-(azetidin-3-yl)-2-methylsulfanylacetamide (CID 66185125) is N-(azetidin-3-yl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(azetidin-3-yl)-2-methylsulfanylacetamide is CSCC(=O)NC1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-2-methylsulfanylacetamide?
The InChIKey is HMSNHHRGBUZHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS/c1-10-4-6(9)8-5-2-7-3-5/h5,7H,2-4H2,1H3,(H,8,9).
What are the key properties of N-(azetidin-3-yl)-2-methylsulfanylacetamide?
N-(azetidin-3-yl)-2-methylsulfanylacetamide has a molecular weight of 160.24 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-methylsulfanylacetamide is sourced from PubChem (CID 66185125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).