N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide

C11H19F3N2O2S — CID 103208361

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)N(CCC(N)=S)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2S/c1-8(2)16(5-3-9(15)19)10(17)4-6-18-7-11(12,13)14/h8H,3-7H2,1-2H3,(H2,15,19)
InChIKeyVLPBCXWNYNADPW-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.87
Rot. Bonds8

About N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide

N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103208361) has the molecular formula C11H19F3N2O2S and a molecular weight of 300.35 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103208361
Molecular FormulaC11H19F3N2O2S
Molecular Weight300.35 g/mol
Exact Mass300.11
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)N(CCC(N)=S)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2S/c1-8(2)16(5-3-9(15)19)10(17)4-6-18-7-11(12,13)14/h8H,3-7H2,1-2H3,(H2,15,19)
InChIKeyVLPBCXWNYNADPW-UHFFFAOYSA-N
XLogP1.87
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.87
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-(3-aminopropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 43253977
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 43291080
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanamide
CID 43291424
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
CID 66276543
N-(3-amino-3-sulfanylidenepropyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide
CID 82004980
N-(3-aminopropyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide
CID 82005349
N-(3-amino-3-sulfanylidenepropyl)-2,2,2-trifluoro-N-(3-methoxypropyl)acetamide
CID 82103565
N-(3-amino-3-sulfanylidenepropyl)-N-(3-ethoxypropyl)-2,2,2-trifluoroacetamide
CID 82104114
N-(3-amino-3-sulfanylidenepropyl)-2,2,2-trifluoro-N-(3-propan-2-yloxypropyl)acetamide
CID 82104127
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4,4,4-trifluorobutoxy)propanamide
CID 82789949
N-(3-aminopropyl)-N-methyl-3-(3,3,3-trifluoropropoxy)propanamide
CID 82953843
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(3,3,3-trifluoropropoxy)propanamide
CID 82954909

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide (CID 103208361) is N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide is CC(C)N(CCC(N)=S)C(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is VLPBCXWNYNADPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2S/c1-8(2)16(5-3-9(15)19)10(17)4-6-18-7-11(12,13)14/h8H,3-7H2,1-2H3,(H2,15,19).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide?
N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 300.35 g/mol, XLogP of 1.87, 8 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-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103208361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).