N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C11H20N2O2S — CID 112602752

IUPACN-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NC(C(N)=S)C1CC1
InChIInChI=1S/C11H20N2O2S/c1-11(2,3)15-6-8(14)13-9(10(12)16)7-4-5-7/h7,9H,4-6H2,1-3H3,(H2,12,16)(H,13,14)
InChIKeyFZJRJSOYHJSHMM-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.98
Rot. Bonds5

About N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112602752) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112602752
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NC(C(N)=S)C1CC1
InChIInChI=1S/C11H20N2O2S/c1-11(2,3)15-6-8(14)13-9(10(12)16)7-4-5-7/h7,9H,4-6H2,1-3H3,(H2,12,16)(H,13,14)
InChIKeyFZJRJSOYHJSHMM-UHFFFAOYSA-N
XLogP0.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112602752) is N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)NC(C(N)=S)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is FZJRJSOYHJSHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-11(2,3)15-6-8(14)13-9(10(12)16)7-4-5-7/h7,9H,4-6H2,1-3H3,(H2,12,16)(H,13,14).
What are the key properties of N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 244.36 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112602752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).