N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-sulfanylpropanamide

C11H23FN2O2S — CID 138728486

IUPACN-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-sulfanylpropanamide
SMILESCC(C)NCCOCC(F)CNC(=O)C(C)S
InChIInChI=1S/C11H23FN2O2S/c1-8(2)13-4-5-16-7-10(12)6-14-11(15)9(3)17/h8-10,13,17H,4-7H2,1-3H3,(H,14,15)
InChIKeyDXSWWWQCBIHUBE-UHFFFAOYSA-N
MW266.38 g/mol
LogP0.77
Rot. Bonds9

About N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-sulfanylpropanamide

N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-sulfanylpropanamide (PubChem CID 138728486) has the molecular formula C11H23FN2O2S and a molecular weight of 266.38 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-sulfanylpropanamide
PubChem CID138728486
Molecular FormulaC11H23FN2O2S
Molecular Weight266.38 g/mol
Exact Mass266.15
IUPAC NameN-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-sulfanylpropanamide
SMILESCC(C)NCCOCC(F)CNC(=O)C(C)S
InChIInChI=1S/C11H23FN2O2S/c1-8(2)13-4-5-16-7-10(12)6-14-11(15)9(3)17/h8-10,13,17H,4-7H2,1-3H3,(H,14,15)
InChIKeyDXSWWWQCBIHUBE-UHFFFAOYSA-N
XLogP0.77
TPSA50.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-(methyldisulfanyl)acetamide
CID 138727900
N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]-2-sulfanylpropanamide
CID 138728416
N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]propanamide
CID 142616170
N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]propanamide
CID 155439391
N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-methylpropanamide
CID 155459713
N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]propanamide
CID 155741079
[3-[2-(ethylamino)ethoxy]-2-fluoropropyl]carbamothioic S-acid
CID 159282761
N-[2-fluoro-3-methyl-3-[2-(1-sulfanylethylamino)ethoxy]butyl]propanamide
CID 163695655
N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]-2-sulfanylpropanamide
CID 166678580
N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-sulfanylpropanamide
CID 166678901
[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]carbamothioic S-acid
CID 166678982
N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide
CID 166733715

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-sulfanylpropanamide?
The IUPAC name of N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-sulfanylpropanamide (CID 138728486) is N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-sulfanylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-sulfanylpropanamide?
The canonical SMILES for N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-sulfanylpropanamide is CC(C)NCCOCC(F)CNC(=O)C(C)S.
What is the InChIKey of N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-sulfanylpropanamide?
The InChIKey is DXSWWWQCBIHUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2O2S/c1-8(2)13-4-5-16-7-10(12)6-14-11(15)9(3)17/h8-10,13,17H,4-7H2,1-3H3,(H,14,15).
What are the key properties of N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-sulfanylpropanamide?
N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-sulfanylpropanamide has a molecular weight of 266.38 g/mol, XLogP of 0.77, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-sulfanylpropanamide is sourced from PubChem (CID 138728486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).