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

C7H14N2OS — CID 84654985

IUPACN-(azetidin-3-ylmethyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)NCC1CNC1
InChIInChI=1S/C7H14N2OS/c1-11-5-7(10)9-4-6-2-8-3-6/h6,8H,2-5H2,1H3,(H,9,10)
InChIKeyUMSUMPVQFRYIFW-UHFFFAOYSA-N
MW174.27 g/mol
LogP-0.31
Rot. Bonds4

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

N-(azetidin-3-ylmethyl)-2-methylsulfanylacetamide (PubChem CID 84654985) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-2-methylsulfanylacetamide
PubChem CID84654985
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC NameN-(azetidin-3-ylmethyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)NCC1CNC1
InChIInChI=1S/C7H14N2OS/c1-11-5-7(10)9-4-6-2-8-3-6/h6,8H,2-5H2,1H3,(H,9,10)
InChIKeyUMSUMPVQFRYIFW-UHFFFAOYSA-N
XLogP-0.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119462298
N-(azetidin-3-yl)-2-methylsulfanylacetamide
CID 66185125
N-(azetidin-2-ylmethyl)-2-methylsulfanylacetamide
CID 84654989
2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 51109505
2-methylsulfanyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
CID 61176260
2-(azetidin-3-yl)-N-(cyclohexylmethyl)acetamide
CID 64615957
2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)acetamide
CID 66290131
(E)-N-(azetidin-3-ylmethyl)-4-(dimethylamino)but-2-enamide
CID 178119672
2-fluoro-N-(pyrrolidin-3-ylmethyl)acetamide
CID 174605600
2-(5-methylpyrimidin-2-yl)sulfanyl-N-(piperidin-3-ylmethyl)acetamide
CID 23590439
2-(azetidin-3-yl)-N-(1-methylsulfanylbutan-2-yl)acetamide
CID 115977035
N-[(1-methylpiperidin-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627369

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-2-methylsulfanylacetamide?
The IUPAC name of N-(azetidin-3-ylmethyl)-2-methylsulfanylacetamide (CID 84654985) is N-(azetidin-3-ylmethyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(azetidin-3-ylmethyl)-2-methylsulfanylacetamide is CSCC(=O)NCC1CNC1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-2-methylsulfanylacetamide?
The InChIKey is UMSUMPVQFRYIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-11-5-7(10)9-4-6-2-8-3-6/h6,8H,2-5H2,1H3,(H,9,10).
What are the key properties of N-(azetidin-3-ylmethyl)-2-methylsulfanylacetamide?
N-(azetidin-3-ylmethyl)-2-methylsulfanylacetamide has a molecular weight of 174.27 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 84654985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).