N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]cyclopropanecarboxamide

C13H17NO2S — CID 97416756

IUPACN-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]cyclopropanecarboxamide
SMILESCSc1ccc([C@@H](O)CNC(=O)C2CC2)cc1
InChIInChI=1S/C13H17NO2S/c1-17-11-6-4-9(5-7-11)12(15)8-14-13(16)10-2-3-10/h4-7,10,12,15H,2-3,8H2,1H3,(H,14,16)/t12-/m0/s1
InChIKeyAMQWFFRUOAAILY-LBPRGKRZSA-N
MW251.35 g/mol
LogP1.97
Rot. Bonds5

About N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]cyclopropanecarboxamide

N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]cyclopropanecarboxamide (PubChem CID 97416756) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]cyclopropanecarboxamide
PubChem CID97416756
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC NameN-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]cyclopropanecarboxamide
SMILESCSc1ccc([C@@H](O)CNC(=O)C2CC2)cc1
InChIInChI=1S/C13H17NO2S/c1-17-11-6-4-9(5-7-11)12(15)8-14-13(16)10-2-3-10/h4-7,10,12,15H,2-3,8H2,1H3,(H,14,16)/t12-/m0/s1
InChIKeyAMQWFFRUOAAILY-LBPRGKRZSA-N
XLogP1.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]cyclopropanecarboxamide (CID 97416756) is N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]cyclopropanecarboxamide is CSc1ccc([C@@H](O)CNC(=O)C2CC2)cc1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]cyclopropanecarboxamide?
The InChIKey is AMQWFFRUOAAILY-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-17-11-6-4-9(5-7-11)12(15)8-14-13(16)10-2-3-10/h4-7,10,12,15H,2-3,8H2,1H3,(H,14,16)/t12-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]cyclopropanecarboxamide?
N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]cyclopropanecarboxamide has a molecular weight of 251.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 97416756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).