2-amino-2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)propanamide

C11H16N2O2S — CID 63918027

IUPAC2-amino-2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)propanamide
SMILESNC(=O)C(N)(CSCc1ccco1)C1CC1
InChIInChI=1S/C11H16N2O2S/c12-10(14)11(13,8-3-4-8)7-16-6-9-2-1-5-15-9/h1-2,5,8H,3-4,6-7,13H2,(H2,12,14)
InChIKeyMSHABTHUOYRQME-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.11
Rot. Bonds6

About 2-amino-2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)propanamide

2-amino-2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)propanamide (PubChem CID 63918027) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)propanamide
PubChem CID63918027
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-amino-2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)propanamide
SMILESNC(=O)C(N)(CSCc1ccco1)C1CC1
InChIInChI=1S/C11H16N2O2S/c12-10(14)11(13,8-3-4-8)7-16-6-9-2-1-5-15-9/h1-2,5,8H,3-4,6-7,13H2,(H2,12,14)
InChIKeyMSHABTHUOYRQME-UHFFFAOYSA-N
XLogP1.11
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propan-1-ol
CID 64820378
2,2,3-tris(furan-2-ylmethylsulfanyl)propanoic acid
CID 88542367
2-(cyclopropylmethylsulfanylmethyl)furan
CID 131208712
2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propanenitrile
CID 63908434
furan-2-ylmethylsulfanylformic acid
CID 87843424
2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)-2-(propylamino)propanenitrile
CID 63908229
N-(cyclohexylmethyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780967
1-(1-adamantyl)-2-(furan-2-ylmethylsulfanyl)ethanone
CID 4074413
1-cyclopropyl-2-(furan-2-yl)ethanone
CID 83172331
2-amino-2-ethyl-5-(furan-2-ylmethylsulfanyl)pentanoic acid
CID 106807228
1-(4-tert-butylcyclohexyl)-2-(furan-2-yl)ethanone
CID 83171692
2-(furan-2-ylmethylsulfanyl)-N-(4-methylcyclohexyl)acetamide
CID 112780850

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)propanamide (CID 63918027) is 2-amino-2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)propanamide is NC(=O)C(N)(CSCc1ccco1)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)propanamide?
The InChIKey is MSHABTHUOYRQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c12-10(14)11(13,8-3-4-8)7-16-6-9-2-1-5-15-9/h1-2,5,8H,3-4,6-7,13H2,(H2,12,14).
What are the key properties of 2-amino-2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)propanamide?
2-amino-2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)propanamide has a molecular weight of 240.33 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)propanamide is sourced from PubChem (CID 63918027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).