N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)cyclopropanesulfonamide

C12H17NO3S2 — CID 71803851

IUPACN-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]cyclopropanesulfonamide
SMILESCSC1=CC=C(C=C1)C(CNS(=O)(=O)C2CC2)O
InChIInChI=1S/C12H17NO3S2/c1-17-10-4-2-9(3-5-10)12(14)8-13-18(15,16)11-6-7-11/h2-5,11-14H,6-8H2,1H3
InChIKeyBTDQSSGEOWQVBX-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.20
Rot. Bonds6

About N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)cyclopropanesulfonamide

N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)cyclopropanesulfonamide (PubChem CID 71803851) has the molecular formula C12H17NO3S2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)cyclopropanesulfonamide
PubChem CID71803851
Molecular FormulaC12H17NO3S2
Molecular Weight287.40 g/mol
Exact Mass287.06
IUPAC NameN-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]cyclopropanesulfonamide
SMILESCSC1=CC=C(C=C1)C(CNS(=O)(=O)C2CC2)O
InChIInChI=1S/C12H17NO3S2/c1-17-10-4-2-9(3-5-10)12(14)8-13-18(15,16)11-6-7-11/h2-5,11-14H,6-8H2,1H3
InChIKeyBTDQSSGEOWQVBX-UHFFFAOYSA-N
XLogP1.20
TPSA100.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity354

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)cyclopropanesulfonamide?
The IUPAC name of N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)cyclopropanesulfonamide (CID 71803851) is N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)cyclopropanesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)cyclopropanesulfonamide is CSC1=CC=C(C=C1)C(CNS(=O)(=O)C2CC2)O.
What is the InChIKey of N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)cyclopropanesulfonamide?
The InChIKey is BTDQSSGEOWQVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S2/c1-17-10-4-2-9(3-5-10)12(14)8-13-18(15,16)11-6-7-11/h2-5,11-14H,6-8H2,1H3.
What are the key properties of N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)cyclopropanesulfonamide?
N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)cyclopropanesulfonamide has a molecular weight of 287.40 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)cyclopropanesulfonamide is sourced from PubChem (CID 71803851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).