N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-octan-2-yloxyacetamide

C14H28N2O2S — CID 43291335

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-octan-2-yloxyacetamide
SMILESCCCCCCC(C)OCC(=O)N(C)CCC(N)=S
InChIInChI=1S/C14H28N2O2S/c1-4-5-6-7-8-12(2)18-11-14(17)16(3)10-9-13(15)19/h12H,4-11H2,1-3H3,(H2,15,19)
InChIKeyOFQJXVLDWRXJFI-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.50
Rot. Bonds11

About N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-octan-2-yloxyacetamide

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-octan-2-yloxyacetamide (PubChem CID 43291335) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-octan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-octan-2-yloxyacetamide
PubChem CID43291335
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-octan-2-yloxyacetamide
SMILESCCCCCCC(C)OCC(=O)N(C)CCC(N)=S
InChIInChI=1S/C14H28N2O2S/c1-4-5-6-7-8-12(2)18-11-14(17)16(3)10-9-13(15)19/h12H,4-11H2,1-3H3,(H2,15,19)
InChIKeyOFQJXVLDWRXJFI-UHFFFAOYSA-N
XLogP2.50
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
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-(3-amino-3-sulfanylidenepropyl)-N-methylnonanamide
CID 65449539
N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]butan-2-yloxy]-N-methylacetamide
CID 604826
1-octan-2-yloxypentan-2-one
CID 62042507
3-[dodecyl(methyl)amino]propanethioamide
CID 63515133
2-ethoxytridecane
CID 54143367
N-(3-aminopropyl)-N-methyl-2-(4-methylpentan-2-yloxy)acetamide
CID 43254258
dodecan-2-yl carbamate
CID 87166225
nonan-2-yl carbamate
CID 19093303
N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-2-propan-2-yloxyacetamide
CID 112602687
N-(5-hydroxyhexyl)-N-methyloctanamide
CID 143646438
decan-2-yl 4-aminooxy-2-sulfanylidenebutanoate
CID 87394598
O-octan-2-yl N,N-dimethylcarbamothioate
CID 134886778

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-octan-2-yloxyacetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-octan-2-yloxyacetamide (CID 43291335) is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-octan-2-yloxyacetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-octan-2-yloxyacetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-octan-2-yloxyacetamide is CCCCCCC(C)OCC(=O)N(C)CCC(N)=S.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-octan-2-yloxyacetamide?
The InChIKey is OFQJXVLDWRXJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-4-5-6-7-8-12(2)18-11-14(17)16(3)10-9-13(15)19/h12H,4-11H2,1-3H3,(H2,15,19).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-octan-2-yloxyacetamide?
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-octan-2-yloxyacetamide has a molecular weight of 288.46 g/mol, XLogP of 2.50, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-octan-2-yloxyacetamide is sourced from PubChem (CID 43291335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).