2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)acetamide

C10H20N2OS — CID 66290131

IUPAC2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CSCC1CNC1
InChIInChI=1S/C10H20N2OS/c1-8(2)3-12-10(13)7-14-6-9-4-11-5-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyCKPXIEMWFGOSDW-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.71
Rot. Bonds6

About 2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)acetamide

2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)acetamide (PubChem CID 66290131) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)acetamide
PubChem CID66290131
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CSCC1CNC1
InChIInChI=1S/C10H20N2OS/c1-8(2)3-12-10(13)7-14-6-9-4-11-5-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyCKPXIEMWFGOSDW-UHFFFAOYSA-N
XLogP0.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-ylmethylsulfanyl)-N-(3-propan-2-yloxypropyl)acetamide
CID 66290307
2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)propanamide
CID 66289260
2-(azetidin-3-ylmethylsulfanyl)-N-heptan-2-ylacetamide
CID 66290727
2-(azetidin-3-ylmethylsulfanyl)-N-carbamoylacetamide
CID 66289497
2-(azetidin-3-ylmethylsulfanyl)-N-[1-(furan-2-yl)ethyl]acetamide
CID 66289051
2-[2-(2-methylpropylamino)-2-oxoethyl]sulfanylacetic acid
CID 16795839
N-[2-(azetidin-3-ylmethylsulfanyl)acetyl]-2-phenylacetamide
CID 66289888
2-(2-aminobutylsulfanyl)-N-(2-methylpropyl)acetamide
CID 66228725
N-(2-acetylphenyl)-2-(azetidin-3-ylmethylsulfanyl)acetamide
CID 66288630
2-(azetidin-3-ylmethylsulfanyl)-N-(1-cyanocyclopentyl)acetamide
CID 66290522
2-(azetidin-3-ylmethylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 66288434
N-(azetidin-3-ylmethyl)-2-methylsulfanylacetamide
CID 84654985

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)acetamide (CID 66290131) is 2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CSCC1CNC1.
What is the InChIKey of 2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)acetamide?
The InChIKey is CKPXIEMWFGOSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8(2)3-12-10(13)7-14-6-9-4-11-5-9/h8-9,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)acetamide?
2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)acetamide has a molecular weight of 216.35 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 66290131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).