N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-2-propoxyacetamide

C10H20N2O2S — CID 107939067

IUPACN-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-2-propoxyacetamide
SMILESCCCOCC(=O)NCC(C)(C)C(N)=S
InChIInChI=1S/C10H20N2O2S/c1-4-5-14-6-8(13)12-7-10(2,3)9(11)15/h4-7H2,1-3H3,(H2,11,15)(H,12,13)
InChIKeySILRUEDYVMOETN-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.84
Rot. Bonds7

About N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-2-propoxyacetamide

N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-2-propoxyacetamide (PubChem CID 107939067) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-2-propoxyacetamide
PubChem CID107939067
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-2-propoxyacetamide
SMILESCCCOCC(=O)NCC(C)(C)C(N)=S
InChIInChI=1S/C10H20N2O2S/c1-4-5-14-6-8(13)12-7-10(2,3)9(11)15/h4-7H2,1-3H3,(H2,11,15)(H,12,13)
InChIKeySILRUEDYVMOETN-UHFFFAOYSA-N
XLogP0.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-propoxyacetamide;hydrochloride
CID 119641121
N-(2-hydroxy-2-methylpentyl)-2-propoxyacetamide
CID 103713311
N-(2,2-difluoro-3-hydroxypropyl)-2-propoxyacetamide
CID 104858090
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-propoxyacetamide
CID 103843568
N-(2-amino-2-methylpropyl)-2-(2-ethoxyethoxy)acetamide
CID 119626722
2-[2-(2-ethoxyethoxy)ethoxy]-N-(2-methyl-2-sulfanylpropyl)acetamide
CID 175791265
N-(2-bromoethyl)-2-propoxyacetamide
CID 107941217
2-(2-propoxyethoxy)-N-propylacetamide
CID 149463198
N-(2-amino-2-ethylbutyl)-2-butoxyacetamide
CID 119640904
2-(2-amino-2-methylpropoxy)-N-ethylacetamide
CID 64537603
N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide
CID 107941610
N-[2-(2-aminoethoxy)ethyl]-2-propoxyacetamide
CID 107941598

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-2-propoxyacetamide?
The IUPAC name of N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-2-propoxyacetamide (CID 107939067) is N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-2-propoxyacetamide.
What is the SMILES notation for N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-2-propoxyacetamide?
The canonical SMILES for N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-2-propoxyacetamide is CCCOCC(=O)NCC(C)(C)C(N)=S.
What is the InChIKey of N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-2-propoxyacetamide?
The InChIKey is SILRUEDYVMOETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-4-5-14-6-8(13)12-7-10(2,3)9(11)15/h4-7H2,1-3H3,(H2,11,15)(H,12,13).
What are the key properties of N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-2-propoxyacetamide?
N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-2-propoxyacetamide has a molecular weight of 232.35 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-2-propoxyacetamide is sourced from PubChem (CID 107939067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).