N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide

C15H21NOS — CID 122559595

IUPACN-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)NC1(Cc2ccccc2C)CC1
InChIInChI=1S/C15H21NOS/c1-11-6-4-5-7-13(11)10-15(8-9-15)16-14(17)12(2)18-3/h4-7,12H,8-10H2,1-3H3,(H,16,17)
InChIKeyQBUJBOGURUQIIV-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.94
Rot. Bonds5

About N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide

N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide (PubChem CID 122559595) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide
PubChem CID122559595
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)NC1(Cc2ccccc2C)CC1
InChIInChI=1S/C15H21NOS/c1-11-6-4-5-7-13(11)10-15(8-9-15)16-14(17)12(2)18-3/h4-7,12H,8-10H2,1-3H3,(H,16,17)
InChIKeyQBUJBOGURUQIIV-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide?
The IUPAC name of N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide (CID 122559595) is N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide.
What is the SMILES notation for N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide?
The canonical SMILES for N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide is CSC(C)C(=O)NC1(Cc2ccccc2C)CC1.
What is the InChIKey of N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide?
The InChIKey is QBUJBOGURUQIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-11-6-4-5-7-13(11)10-15(8-9-15)16-14(17)12(2)18-3/h4-7,12H,8-10H2,1-3H3,(H,16,17).
What are the key properties of N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide?
N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide has a molecular weight of 263.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide is sourced from PubChem (CID 122559595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).