2-(azetidin-3-ylmethylsulfanyl)-N-(3-propan-2-yloxypropyl)acetamide

C12H24N2O2S — CID 66290307

IUPAC2-(azetidin-3-ylmethylsulfanyl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CSCC1CNC1
InChIInChI=1S/C12H24N2O2S/c1-10(2)16-5-3-4-14-12(15)9-17-8-11-6-13-7-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyASXZMKCFZXGECB-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.87
Rot. Bonds9

About 2-(azetidin-3-ylmethylsulfanyl)-N-(3-propan-2-yloxypropyl)acetamide

2-(azetidin-3-ylmethylsulfanyl)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 66290307) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethylsulfanyl)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-ylmethylsulfanyl)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID66290307
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name2-(azetidin-3-ylmethylsulfanyl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CSCC1CNC1
InChIInChI=1S/C12H24N2O2S/c1-10(2)16-5-3-4-14-12(15)9-17-8-11-6-13-7-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyASXZMKCFZXGECB-UHFFFAOYSA-N
XLogP0.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)acetamide
CID 66290131
2-(oxetan-3-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 84575429
2-(azetidin-3-ylmethylsulfanyl)-N-heptan-2-ylacetamide
CID 66290727
2-(azetidin-3-ylmethylsulfanyl)-N-carbamoylacetamide
CID 66289497
5,5-dimethyl-N-(3-propan-2-yloxypropyl)hexanamide
CID 156551412
2-ethoxy-N-(3-propan-2-yloxypropyl)acetamide
CID 60638133
2-(2-methoxyethoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 103606873
2-(3-aminopyrrolidin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 55030129
2-(dimethylamino)-N-(3-propan-2-yloxypropyl)acetamide
CID 156560781
2-chloro-N-(4-propan-2-yloxybutyl)acetamide
CID 82109645
N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide
CID 5167473
2-(2,2-dimethylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 65461594

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethylsulfanyl)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(azetidin-3-ylmethylsulfanyl)-N-(3-propan-2-yloxypropyl)acetamide (CID 66290307) is 2-(azetidin-3-ylmethylsulfanyl)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(azetidin-3-ylmethylsulfanyl)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(azetidin-3-ylmethylsulfanyl)-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)CSCC1CNC1.
What is the InChIKey of 2-(azetidin-3-ylmethylsulfanyl)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is ASXZMKCFZXGECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-10(2)16-5-3-4-14-12(15)9-17-8-11-6-13-7-11/h10-11,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-(azetidin-3-ylmethylsulfanyl)-N-(3-propan-2-yloxypropyl)acetamide?
2-(azetidin-3-ylmethylsulfanyl)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 260.40 g/mol, XLogP of 0.87, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethylsulfanyl)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 66290307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).