N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-methoxy-2-methylpropanamide

C10H18N2O2S — CID 103020480

IUPACN-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NC(C(N)=S)C1CC1
InChIInChI=1S/C10H18N2O2S/c1-10(2,14-3)9(13)12-7(8(11)15)6-4-5-6/h6-7H,4-5H2,1-3H3,(H2,11,15)(H,12,13)
InChIKeyNBYYGPTWLYZPNM-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.59
Rot. Bonds5

About N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-methoxy-2-methylpropanamide

N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-methoxy-2-methylpropanamide (PubChem CID 103020480) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-methoxy-2-methylpropanamide
PubChem CID103020480
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC NameN-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NC(C(N)=S)C1CC1
InChIInChI=1S/C10H18N2O2S/c1-10(2,14-3)9(13)12-7(8(11)15)6-4-5-6/h6-7H,4-5H2,1-3H3,(H2,11,15)(H,12,13)
InChIKeyNBYYGPTWLYZPNM-UHFFFAOYSA-N
XLogP0.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-1-sulfanylidenepentan-2-yl)-2-methoxyacetamide
CID 61278987
N-(2-amino-2-cyclopropylethyl)-2-methoxyacetamide
CID 63766887
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-ethoxyacetamide
CID 64421104
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-methoxyacetamide
CID 64421511
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-2-ethoxyacetamide
CID 64427606
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-2-methoxyacetamide
CID 64427613
N-(2-amino-1-cyclopropylethyl)-2-methoxyacetamide
CID 65188682
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methoxy-2-methylpropanamide
CID 103020296
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-methoxy-2-methylpropanamide
CID 103020300
N-(1-amino-1-sulfanylidenepentan-2-yl)-2-methoxy-2-methylpropanamide
CID 103020303
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-methoxy-2-methylpropanamide
CID 103020334
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methoxy-2-methylpropanamide
CID 103020377

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-methoxy-2-methylpropanamide (CID 103020480) is N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)NC(C(N)=S)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-methoxy-2-methylpropanamide?
The InChIKey is NBYYGPTWLYZPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-10(2,14-3)9(13)12-7(8(11)15)6-4-5-6/h6-7H,4-5H2,1-3H3,(H2,11,15)(H,12,13).
What are the key properties of N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-methoxy-2-methylpropanamide?
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-methoxy-2-methylpropanamide has a molecular weight of 230.33 g/mol, XLogP of 0.59, 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-methoxy-2-methylpropanamide is sourced from PubChem (CID 103020480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).