N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide

C12H20F2N2O2S — CID 103208450

IUPACN-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide
SMILESNC(=S)CN(C(=O)CCOCC(F)F)C1CCCC1
InChIInChI=1S/C12H20F2N2O2S/c13-10(14)8-18-6-5-12(17)16(7-11(15)19)9-3-1-2-4-9/h9-10H,1-8H2,(H2,15,19)
InChIKeyJNXZWPXAINTBES-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.72
Rot. Bonds8

About N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide

N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103208450) has the molecular formula C12H20F2N2O2S and a molecular weight of 294.37 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide
PubChem CID103208450
Molecular FormulaC12H20F2N2O2S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide
SMILESNC(=S)CN(C(=O)CCOCC(F)F)C1CCCC1
InChIInChI=1S/C12H20F2N2O2S/c13-10(14)8-18-6-5-12(17)16(7-11(15)19)9-3-1-2-4-9/h9-10H,1-8H2,(H2,15,19)
InChIKeyJNXZWPXAINTBES-UHFFFAOYSA-N
XLogP1.72
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.72
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-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide
CID 64474306
N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-4,4,4-trifluorobutanamide
CID 65712167
N-(3-aminopropyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205344
N-(3-aminopropyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide
CID 103205345
N-(2-aminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205486
N-(1-amino-1-sulfanylidenebutan-2-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103208322
N-(1-amino-1-sulfanylidenepentan-2-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103208324
N-(1-amino-1-sulfanylidenepentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208325
N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208361
N-(2-amino-2-sulfanylideneethyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide
CID 103208368
N-(2-amino-2-sulfanylideneethyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208369
N-(2-amino-2-sulfanylideneethyl)-3-(2,2-difluoroethoxy)-N-ethylpropanamide
CID 103208371

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide (CID 103208450) is N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide is NC(=S)CN(C(=O)CCOCC(F)F)C1CCCC1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is JNXZWPXAINTBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O2S/c13-10(14)8-18-6-5-12(17)16(7-11(15)19)9-3-1-2-4-9/h9-10H,1-8H2,(H2,15,19).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide?
N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 294.37 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103208450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).