N-(1-amino-1-sulfanylidenepentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide

C10H17F3N2O2S — CID 103208325

IUPACN-(1-amino-1-sulfanylidenepentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCCC(NC(=O)CCOCC(F)(F)F)C(N)=S
InChIInChI=1S/C10H17F3N2O2S/c1-2-3-7(9(14)18)15-8(16)4-5-17-6-10(11,12)13/h7H,2-6H2,1H3,(H2,14,18)(H,15,16)
InChIKeyWFUZDSWATWTMGB-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.53
Rot. Bonds8

About N-(1-amino-1-sulfanylidenepentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(1-amino-1-sulfanylidenepentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103208325) has the molecular formula C10H17F3N2O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103208325
Molecular FormulaC10H17F3N2O2S
Molecular Weight286.32 g/mol
Exact Mass286.10
IUPAC NameN-(1-amino-1-sulfanylidenepentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCCC(NC(=O)CCOCC(F)(F)F)C(N)=S
InChIInChI=1S/C10H17F3N2O2S/c1-2-3-7(9(14)18)15-8(16)4-5-17-6-10(11,12)13/h7H,2-6H2,1H3,(H2,14,18)(H,15,16)
InChIKeyWFUZDSWATWTMGB-UHFFFAOYSA-N
XLogP1.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.53
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-(1-amino-1-sulfanylidenepentan-2-yl)-3,3,3-trifluoropropanamide
CID 61119512
3-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide
CID 82810734
3-propoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide
CID 82810860
3-(2,2-Difluoroethoxy)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 103205291
1-[3-(Ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103205292
1-[3-(Propylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103205294
3-(2,2-Difluoroethoxy)-1-[3-(propylamino)piperidin-1-yl]propan-1-one
CID 103205296
N-(1-aminopentan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205454
N-(1-aminopentan-3-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103205455
3-(2,2-difluoroethoxy)-N-piperidin-3-ylpropanamide
CID 103206351
3-(2,2-difluoroethoxy)-N-methyl-N-piperidin-3-ylpropanamide
CID 103206364
N-methyl-N-piperidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103206365

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 103208325) is N-(1-amino-1-sulfanylidenepentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide is CCCC(NC(=O)CCOCC(F)(F)F)C(N)=S.
What is the InChIKey of N-(1-amino-1-sulfanylidenepentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is WFUZDSWATWTMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2S/c1-2-3-7(9(14)18)15-8(16)4-5-17-6-10(11,12)13/h7H,2-6H2,1H3,(H2,14,18)(H,15,16).
What are the key properties of N-(1-amino-1-sulfanylidenepentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(1-amino-1-sulfanylidenepentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 286.32 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenepentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103208325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).