N-(3-amino-3-sulfanylidenepropyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpropanamide

C10H14F6N2O2S — CID 102722234

IUPACN-(3-amino-3-sulfanylidenepropyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpropanamide
SMILESCN(CCC(N)=S)C(=O)CCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6N2O2S/c1-18(4-2-6(17)21)7(19)3-5-20-8(9(11,12)13)10(14,15)16/h8H,2-5H2,1H3,(H2,17,21)
InChIKeyVDDKUHPDHZIPCE-UHFFFAOYSA-N
MW340.29 g/mol
LogP2.02
Rot. Bonds7

About N-(3-amino-3-sulfanylidenepropyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpropanamide

N-(3-amino-3-sulfanylidenepropyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpropanamide (PubChem CID 102722234) has the molecular formula C10H14F6N2O2S and a molecular weight of 340.29 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpropanamide
PubChem CID102722234
Molecular FormulaC10H14F6N2O2S
Molecular Weight340.29 g/mol
Exact Mass340.07
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpropanamide
SMILESCN(CCC(N)=S)C(=O)CCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6N2O2S/c1-18(4-2-6(17)21)7(19)3-5-20-8(9(11,12)13)10(14,15)16/h8H,2-5H2,1H3,(H2,17,21)
InChIKeyVDDKUHPDHZIPCE-UHFFFAOYSA-N
XLogP2.02
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
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-(3-amino-3-sulfanylidenepropyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpropanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpropanamide (CID 102722234) is N-(3-amino-3-sulfanylidenepropyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpropanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpropanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpropanamide is CN(CCC(N)=S)C(=O)CCOC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpropanamide?
The InChIKey is VDDKUHPDHZIPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6N2O2S/c1-18(4-2-6(17)21)7(19)3-5-20-8(9(11,12)13)10(14,15)16/h8H,2-5H2,1H3,(H2,17,21).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpropanamide?
N-(3-amino-3-sulfanylidenepropyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpropanamide has a molecular weight of 340.29 g/mol, XLogP of 2.02, 7 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)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpropanamide is sourced from PubChem (CID 102722234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).