2-amino-2-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide

C13H18N2OS — CID 63917847

IUPAC2-amino-2-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCC(N)(C(N)=O)C2CC2)cc1
InChIInChI=1S/C13H18N2OS/c1-9-2-6-11(7-3-9)17-8-13(15,12(14)16)10-4-5-10/h2-3,6-7,10H,4-5,8,15H2,1H3,(H2,14,16)
InChIKeyDUSAQXBPEQCGHW-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.68
Rot. Bonds5

About 2-amino-2-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide

2-amino-2-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide (PubChem CID 63917847) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide
PubChem CID63917847
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-amino-2-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCC(N)(C(N)=O)C2CC2)cc1
InChIInChI=1S/C13H18N2OS/c1-9-2-6-11(7-3-9)17-8-13(15,12(14)16)10-4-5-10/h2-3,6-7,10H,4-5,8,15H2,1H3,(H2,14,16)
InChIKeyDUSAQXBPEQCGHW-UHFFFAOYSA-N
XLogP1.68
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-2-cyclopropyl-3-(4-methylphenyl)sulfanylpropanoate
CID 63917659
2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide
CID 63918876
2-amino-2-cyclopropyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 63920649
2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanamide
CID 63917104
2-amino-3-(2-chlorophenyl)sulfanyl-2-cyclopropylpropanamide
CID 63917294
2-amino-2-cyclopropyl-3-(N-ethyl-4-methylanilino)propanamide
CID 63919444
2-amino-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide
CID 63918686
2-amino-2-cyclopropyl-3-pyridin-2-ylsulfanylpropanamide
CID 63917691
2-amino-2-cyclopropyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 63919066
methyl 2-amino-3-(3-bromophenyl)sulfanyl-2-cyclopropylpropanoate
CID 63918691
ethyl 2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanoate
CID 63917282
2-amino-2-cyclopropyl-3-quinazolin-4-ylsulfanylpropanamide
CID 63919256

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of 2-amino-2-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide (CID 63917847) is 2-amino-2-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SCC(N)(C(N)=O)C2CC2)cc1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is DUSAQXBPEQCGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-9-2-6-11(7-3-9)17-8-13(15,12(14)16)10-4-5-10/h2-3,6-7,10H,4-5,8,15H2,1H3,(H2,14,16).
What are the key properties of 2-amino-2-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide?
2-amino-2-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 250.37 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 63917847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).