N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(2,2-difluoroethoxy)-N-methylpropanamide

C10H18F2N2O2S — CID 103208416

IUPACN-(4-amino-4-sulfanylidenebutan-2-yl)-3-(2,2-difluoroethoxy)-N-methylpropanamide
SMILESCC(CC(N)=S)N(C)C(=O)CCOCC(F)F
InChIInChI=1S/C10H18F2N2O2S/c1-7(5-9(13)17)14(2)10(15)3-4-16-6-8(11)12/h7-8H,3-6H2,1-2H3,(H2,13,17)
InChIKeyLWFXBDFCIYAKGX-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.18
Rot. Bonds8

About N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(2,2-difluoroethoxy)-N-methylpropanamide

N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(2,2-difluoroethoxy)-N-methylpropanamide (PubChem CID 103208416) has the molecular formula C10H18F2N2O2S and a molecular weight of 268.33 g/mol. Its IUPAC name is N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(2,2-difluoroethoxy)-N-methylpropanamide.

Molecular Properties

Compound NameN-(4-amino-4-sulfanylidenebutan-2-yl)-3-(2,2-difluoroethoxy)-N-methylpropanamide
PubChem CID103208416
Molecular FormulaC10H18F2N2O2S
Molecular Weight268.33 g/mol
Exact Mass268.11
IUPAC NameN-(4-amino-4-sulfanylidenebutan-2-yl)-3-(2,2-difluoroethoxy)-N-methylpropanamide
SMILESCC(CC(N)=S)N(C)C(=O)CCOCC(F)F
InChIInChI=1S/C10H18F2N2O2S/c1-7(5-9(13)17)14(2)10(15)3-4-16-6-8(11)12/h7-8H,3-6H2,1-2H3,(H2,13,17)
InChIKeyLWFXBDFCIYAKGX-UHFFFAOYSA-N
XLogP1.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.18
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

2-[3-(2,2-difluoroethoxy)propanoyl-methylamino]butanoic acid
CID 103205929
N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide
CID 103208450
3-(2,2-difluoroethoxy)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylpropanamide
CID 103208632
2-[3-(2,2-difluoroethoxy)propanoyl-methylamino]acetic acid
CID 103205785
diethyl 2-[3-(2,2-difluoroethoxy)propanoyl]propanedioate
CID 103150185
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-cyclobutyl-N-methylacetamide
CID 103163701
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethoxy-N-methylpropanamide
CID 76946952
2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]propanoic acid
CID 122067557
N-(5-aminopentyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide
CID 107206665
1-(2,2-difluoroethoxy)-4-methylpentan-3-one
CID 103147305
N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(furan-2-yl)-N-methylpropanamide
CID 63223498
methyl 4-[3-(2,2-difluoroethoxy)propanoyl-methylamino]butanoate
CID 103209822

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(2,2-difluoroethoxy)-N-methylpropanamide?
The IUPAC name of N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(2,2-difluoroethoxy)-N-methylpropanamide (CID 103208416) is N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(2,2-difluoroethoxy)-N-methylpropanamide.
What is the SMILES notation for N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(2,2-difluoroethoxy)-N-methylpropanamide?
The canonical SMILES for N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(2,2-difluoroethoxy)-N-methylpropanamide is CC(CC(N)=S)N(C)C(=O)CCOCC(F)F.
What is the InChIKey of N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(2,2-difluoroethoxy)-N-methylpropanamide?
The InChIKey is LWFXBDFCIYAKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2S/c1-7(5-9(13)17)14(2)10(15)3-4-16-6-8(11)12/h7-8H,3-6H2,1-2H3,(H2,13,17).
What are the key properties of N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(2,2-difluoroethoxy)-N-methylpropanamide?
N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(2,2-difluoroethoxy)-N-methylpropanamide has a molecular weight of 268.33 g/mol, XLogP of 1.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(2,2-difluoroethoxy)-N-methylpropanamide is sourced from PubChem (CID 103208416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).