N-cyclopropyl-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C12H21NO2S — CID 107024871

IUPACN-cyclopropyl-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCOCCN(C(=O)CC1(CS)CC1)C1CC1
InChIInChI=1S/C12H21NO2S/c1-15-7-6-13(10-2-3-10)11(14)8-12(9-16)4-5-12/h10,16H,2-9H2,1H3
InChIKeyXHQVAKZIKZTJCB-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.72
Rot. Bonds7

About N-cyclopropyl-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-cyclopropyl-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107024871) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107024871
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC NameN-cyclopropyl-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCOCCN(C(=O)CC1(CS)CC1)C1CC1
InChIInChI=1S/C12H21NO2S/c1-15-7-6-13(10-2-3-10)11(14)8-12(9-16)4-5-12/h10,16H,2-9H2,1H3
InChIKeyXHQVAKZIKZTJCB-UHFFFAOYSA-N
XLogP1.72
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-cyclopropyl-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107024871) is N-cyclopropyl-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is COCCN(C(=O)CC1(CS)CC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is XHQVAKZIKZTJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-15-7-6-13(10-2-3-10)11(14)8-12(9-16)4-5-12/h10,16H,2-9H2,1H3.
What are the key properties of N-cyclopropyl-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-cyclopropyl-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 243.37 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107024871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).