2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanamide

C13H18N2O2S — CID 63917104

IUPAC2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanamide
SMILESCOc1cccc(SCC(N)(C(N)=O)C2CC2)c1
InChIInChI=1S/C13H18N2O2S/c1-17-10-3-2-4-11(7-10)18-8-13(15,12(14)16)9-5-6-9/h2-4,7,9H,5-6,8,15H2,1H3,(H2,14,16)
InChIKeyPYQALBUZKZXBGF-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.38
Rot. Bonds6

About 2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanamide

2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanamide (PubChem CID 63917104) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanamide
PubChem CID63917104
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanamide
SMILESCOc1cccc(SCC(N)(C(N)=O)C2CC2)c1
InChIInChI=1S/C13H18N2O2S/c1-17-10-3-2-4-11(7-10)18-8-13(15,12(14)16)9-5-6-9/h2-4,7,9H,5-6,8,15H2,1H3,(H2,14,16)
InChIKeyPYQALBUZKZXBGF-UHFFFAOYSA-N
XLogP1.38
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanoate
CID 63917282
1-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropan-2-ol
CID 64812986
2-cyclopropyl-2-(ethylamino)-3-(3-methoxyphenyl)sulfanylpropanoic acid
CID 63917106
methyl 2-amino-3-(3-bromophenyl)sulfanyl-2-cyclopropylpropanoate
CID 63918691
2-amino-2-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide
CID 63917847
2-cyclopropyl-3-(3-methoxyphenyl)sulfanyl-2-(methylamino)propan-1-ol
CID 64806795
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 119575363
methyl 2-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propanoate
CID 63918810
1-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-(3-methoxyphenyl)sulfanylethanone
CID 131903155
[3-(2,2-dimethylpropylsulfanyl)phenyl] carbamate
CID 175354400
N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxyphenyl)sulfanylacetamide
CID 119604496
2-amino-3-(2-chlorophenyl)sulfanyl-2-cyclopropylpropanamide
CID 63917294

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of 2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanamide (CID 63917104) is 2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanamide is COc1cccc(SCC(N)(C(N)=O)C2CC2)c1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanamide?
The InChIKey is PYQALBUZKZXBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-17-10-3-2-4-11(7-10)18-8-13(15,12(14)16)9-5-6-9/h2-4,7,9H,5-6,8,15H2,1H3,(H2,14,16).
What are the key properties of 2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanamide?
2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanamide has a molecular weight of 266.37 g/mol, XLogP of 1.38, 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-(3-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 63917104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).