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

C11H22N2OS — CID 66289260

IUPAC2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)SCC1CNC1
InChIInChI=1S/C11H22N2OS/c1-8(2)4-13-11(14)9(3)15-7-10-5-12-6-10/h8-10,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyPPXBUMDFIDASKC-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.10
Rot. Bonds6

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

2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)propanamide (PubChem CID 66289260) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)propanamide
PubChem CID66289260
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)SCC1CNC1
InChIInChI=1S/C11H22N2OS/c1-8(2)4-13-11(14)9(3)15-7-10-5-12-6-10/h8-10,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyPPXBUMDFIDASKC-UHFFFAOYSA-N
XLogP1.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)acetamide
CID 66290131
2-(azetidin-3-ylmethylsulfanyl)-1-morpholin-4-ylpropan-1-one
CID 66289069
(2S)-2-(2,2-dimethylpropylsulfanyl)-N-(2-methylpropyl)propanamide
CID 138622913
2-(azetidin-3-ylmethylsulfanyl)-N-heptan-2-ylacetamide
CID 66290727
2-butylsulfanyl-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120654893
2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide
CID 66230922
(3S)-N-(2-methylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130617113
N-(2-methylpropyl)-2-[(1-propan-2-ylcyclopropyl)methylamino]propanamide
CID 103742193
2-(3-methylazetidin-3-yl)oxy-N-(2-methylpropyl)propanamide
CID 83066067
2-bromo-N-(2-methylpropyl)hexanamide
CID 110839076
(2S)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)propanamide
CID 9373792
2-benzylsulfanyl-N-(2-piperidin-3-ylethyl)propanamide
CID 119555725

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)propanamide (CID 66289260) is 2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)SCC1CNC1.
What is the InChIKey of 2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)propanamide?
The InChIKey is PPXBUMDFIDASKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-8(2)4-13-11(14)9(3)15-7-10-5-12-6-10/h8-10,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)propanamide?
2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)propanamide has a molecular weight of 230.38 g/mol, XLogP of 1.10, 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)propanamide is sourced from PubChem (CID 66289260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).