N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide

C10H16F4N2O2S — CID 43291424

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide
SMILESCN(CCC(N)=S)C(=O)CCOCC(F)(F)C(F)F
InChIInChI=1S/C10H16F4N2O2S/c1-16(4-2-7(15)19)8(17)3-5-18-6-10(13,14)9(11)12/h9H,2-6H2,1H3,(H2,15,19)
InChIKeyOPUYMBBVEAPXPS-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.43
Rot. Bonds9

About N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide (PubChem CID 43291424) has the molecular formula C10H16F4N2O2S and a molecular weight of 304.31 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide
PubChem CID43291424
Molecular FormulaC10H16F4N2O2S
Molecular Weight304.31 g/mol
Exact Mass304.09
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide
SMILESCN(CCC(N)=S)C(=O)CCOCC(F)(F)C(F)F
InChIInChI=1S/C10H16F4N2O2S/c1-16(4-2-7(15)19)8(17)3-5-18-6-10(13,14)9(11)12/h9H,2-6H2,1H3,(H2,15,19)
InChIKeyOPUYMBBVEAPXPS-UHFFFAOYSA-N
XLogP1.43
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'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)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide (CID 43291424) is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide is CN(CCC(N)=S)C(=O)CCOCC(F)(F)C(F)F.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide?
The InChIKey is OPUYMBBVEAPXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4N2O2S/c1-16(4-2-7(15)19)8(17)3-5-18-6-10(13,14)9(11)12/h9H,2-6H2,1H3,(H2,15,19).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide?
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide has a molecular weight of 304.31 g/mol, XLogP of 1.43, 9 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-3-(2,2,3,3-tetrafluoropropoxy)propanamide is sourced from PubChem (CID 43291424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).