N-(furan-3-ylmethyl)-N-methyl-2-sulfanylpropanamide

C9H13NO2S — CID 107024417

IUPACN-(furan-3-ylmethyl)-N-methyl-2-sulfanylpropanamide
SMILESCC(S)C(=O)N(C)Cc1ccoc1
InChIInChI=1S/C9H13NO2S/c1-7(13)9(11)10(2)5-8-3-4-12-6-8/h3-4,6-7,13H,5H2,1-2H3
InChIKeyYCGRXOKXTMAKLZ-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.56
Rot. Bonds3

About N-(furan-3-ylmethyl)-N-methyl-2-sulfanylpropanamide

N-(furan-3-ylmethyl)-N-methyl-2-sulfanylpropanamide (PubChem CID 107024417) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N-methyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N-methyl-2-sulfanylpropanamide
PubChem CID107024417
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC NameN-(furan-3-ylmethyl)-N-methyl-2-sulfanylpropanamide
SMILESCC(S)C(=O)N(C)Cc1ccoc1
InChIInChI=1S/C9H13NO2S/c1-7(13)9(11)10(2)5-8-3-4-12-6-8/h3-4,6-7,13H,5H2,1-2H3
InChIKeyYCGRXOKXTMAKLZ-UHFFFAOYSA-N
XLogP1.56
TPSA33.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-(furan-3-ylmethyl)-N-methylpropanamide
CID 78973579
4-[furan-3-ylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498062
2-cyano-N-(furan-3-ylmethyl)-N,3-dimethylbutanamide
CID 55208173
N-(furan-3-ylmethyl)-N,3-dimethylbutanamide
CID 110868913
4-amino-5-[furan-3-ylmethyl(methyl)amino]-5-oxopentanoic acid
CID 64890889
1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea
CID 54330793
(2S)-2-amino-N-(furan-3-ylmethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 61422664
2-amino-N-(furan-3-ylmethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76903871
N-(furan-3-ylmethyl)-N,3,3-trimethylbutanamide
CID 110868951
2,2,3,3-tetrafluoro-N-(furan-3-ylmethyl)-N-methylpropanamide
CID 103733157
2-(benzimidazol-1-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide
CID 131904053
N-(furan-3-ylmethyl)-N,4-dimethylbenzamide
CID 110868919

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N-methyl-2-sulfanylpropanamide?
The IUPAC name of N-(furan-3-ylmethyl)-N-methyl-2-sulfanylpropanamide (CID 107024417) is N-(furan-3-ylmethyl)-N-methyl-2-sulfanylpropanamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-N-methyl-2-sulfanylpropanamide?
The canonical SMILES for N-(furan-3-ylmethyl)-N-methyl-2-sulfanylpropanamide is CC(S)C(=O)N(C)Cc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-N-methyl-2-sulfanylpropanamide?
The InChIKey is YCGRXOKXTMAKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-7(13)9(11)10(2)5-8-3-4-12-6-8/h3-4,6-7,13H,5H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-N-methyl-2-sulfanylpropanamide?
N-(furan-3-ylmethyl)-N-methyl-2-sulfanylpropanamide has a molecular weight of 199.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N-methyl-2-sulfanylpropanamide is sourced from PubChem (CID 107024417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).