2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide

C13H22N2O2S — CID 43781321

IUPAC2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1ccc(CSC)o1
InChIInChI=1S/C13H22N2O2S/c1-4-7-14-13(16)10(2)15-8-11-5-6-12(17-11)9-18-3/h5-6,10,15H,4,7-9H2,1-3H3,(H,14,16)
InChIKeyHDRVPUJVPMEJNT-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.15
Rot. Bonds8

About 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide

2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide (PubChem CID 43781321) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide
PubChem CID43781321
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1ccc(CSC)o1
InChIInChI=1S/C13H22N2O2S/c1-4-7-14-13(16)10(2)15-8-11-5-6-12(17-11)9-18-3/h5-6,10,15H,4,7-9H2,1-3H3,(H,14,16)
InChIKeyHDRVPUJVPMEJNT-UHFFFAOYSA-N
XLogP2.15
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-N-ethylpropanamide
CID 43225480
3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide
CID 61060082
2-(1,2-oxazol-5-ylmethylamino)-N-propylpropanamide
CID 103605518
2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
CID 115621805
2-[(4-iodophenyl)methylamino]-N-propylpropanamide
CID 65477779
1-N,1-N,3-trimethyl-2-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]butane-1,2-diamine
CID 54953777
2-[(2-methyl-3-methylsulfanylpropyl)amino]-N-propylpropanamide
CID 63966960
2-[(4-acetamidophenyl)methylamino]-N-propylpropanamide
CID 43224047
2-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide
CID 81494861
2-[(2-ethyl-1-benzofuran-3-yl)methylamino]-N-propylpropanamide
CID 43226132
N-propyl-2-[(2,4,5-trimethylphenyl)methylamino]propanamide
CID 43221811
2-(4-methylsulfanylanilino)-N-propylpropanamide
CID 43088199

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide?
The IUPAC name of 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide (CID 43781321) is 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide?
The canonical SMILES for 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide is CCCNC(=O)C(C)NCc1ccc(CSC)o1.
What is the InChIKey of 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide?
The InChIKey is HDRVPUJVPMEJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-7-14-13(16)10(2)15-8-11-5-6-12(17-11)9-18-3/h5-6,10,15H,4,7-9H2,1-3H3,(H,14,16).
What are the key properties of 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide?
2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide has a molecular weight of 270.40 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide is sourced from PubChem (CID 43781321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).