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

C11H15NO2S — CID 107026655

IUPACN-cyclopropyl-N-(furan-2-ylmethyl)-3-sulfanylpropanamide
SMILESO=C(CCS)N(Cc1ccco1)C1CC1
InChIInChI=1S/C11H15NO2S/c13-11(5-7-15)12(9-3-4-9)8-10-2-1-6-14-10/h1-2,6,9,15H,3-5,7-8H2
InChIKeyUSXQKJAESQSFQW-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.09
Rot. Bonds5

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

N-cyclopropyl-N-(furan-2-ylmethyl)-3-sulfanylpropanamide (PubChem CID 107026655) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-cyclopropyl-N-(furan-2-ylmethyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(furan-2-ylmethyl)-3-sulfanylpropanamide
PubChem CID107026655
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-cyclopropyl-N-(furan-2-ylmethyl)-3-sulfanylpropanamide
SMILESO=C(CCS)N(Cc1ccco1)C1CC1
InChIInChI=1S/C11H15NO2S/c13-11(5-7-15)12(9-3-4-9)8-10-2-1-6-14-10/h1-2,6,9,15H,3-5,7-8H2
InChIKeyUSXQKJAESQSFQW-UHFFFAOYSA-N
XLogP2.09
TPSA33.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.09
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

N-cyclopropyl-N-(furan-2-ylmethyl)-4-hydroxybutanamide
CID 79200570
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
2-amino-N-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54870592
2-cyclopent-2-en-1-yl-N-cyclopropyl-N-(furan-2-ylmethyl)acetamide
CID 47022974
2-(2-aminophenoxy)-N-cyclopropyl-N-(furan-2-ylmethyl)acetamide
CID 61107416
N-cyclopropyl-N-(furan-2-ylmethyl)-2-piperazin-1-ylacetamide
CID 54944898
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclopropyl-N-(furan-2-ylmethyl)acetamide
CID 79610300
5-amino-N-cyclopentyl-N-(furan-2-ylmethyl)-4-methylpentanamide
CID 82012609
4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782822
3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pentanamide
CID 81087169
N-cyclopropyl-N-(furan-2-ylmethyl)-4-iodobenzamide
CID 60731680
3-amino-N-cyclopentyl-N-(furan-2-ylmethyl)butanamide
CID 54871048

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(furan-2-ylmethyl)-3-sulfanylpropanamide?
The IUPAC name of N-cyclopropyl-N-(furan-2-ylmethyl)-3-sulfanylpropanamide (CID 107026655) is N-cyclopropyl-N-(furan-2-ylmethyl)-3-sulfanylpropanamide.
What is the SMILES notation for N-cyclopropyl-N-(furan-2-ylmethyl)-3-sulfanylpropanamide?
The canonical SMILES for N-cyclopropyl-N-(furan-2-ylmethyl)-3-sulfanylpropanamide is O=C(CCS)N(Cc1ccco1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(furan-2-ylmethyl)-3-sulfanylpropanamide?
The InChIKey is USXQKJAESQSFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c13-11(5-7-15)12(9-3-4-9)8-10-2-1-6-14-10/h1-2,6,9,15H,3-5,7-8H2.
What are the key properties of N-cyclopropyl-N-(furan-2-ylmethyl)-3-sulfanylpropanamide?
N-cyclopropyl-N-(furan-2-ylmethyl)-3-sulfanylpropanamide has a molecular weight of 225.31 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(furan-2-ylmethyl)-3-sulfanylpropanamide is sourced from PubChem (CID 107026655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).