2-[S-[(4-chlorophenyl)methyl]-N-ethylsulfonimidoyl]ethanamine

C11H17ClN2OS — CID 112540683

IUPAC2-[S-[(4-chlorophenyl)methyl]-N-ethylsulfonimidoyl]ethanamine
SMILESCCN=S(=O)(CCN)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H17ClN2OS/c1-2-14-16(15,8-7-13)9-10-3-5-11(12)6-4-10/h3-6H,2,7-9,13H2,1H3
InChIKeyZDDRCWSAOKIPAT-UHFFFAOYSA-N
MW260.79 g/mol
LogP2.29
Rot. Bonds5

About 2-[S-[(4-chlorophenyl)methyl]-N-ethylsulfonimidoyl]ethanamine

2-[S-[(4-chlorophenyl)methyl]-N-ethylsulfonimidoyl]ethanamine (PubChem CID 112540683) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is 2-[S-[(4-chlorophenyl)methyl]-N-ethylsulfonimidoyl]ethanamine.

Molecular Properties

Compound Name2-[S-[(4-chlorophenyl)methyl]-N-ethylsulfonimidoyl]ethanamine
PubChem CID112540683
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name2-[S-[(4-chlorophenyl)methyl]-N-ethylsulfonimidoyl]ethanamine
SMILESCCN=S(=O)(CCN)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H17ClN2OS/c1-2-14-16(15,8-7-13)9-10-3-5-11(12)6-4-10/h3-6H,2,7-9,13H2,1H3
InChIKeyZDDRCWSAOKIPAT-UHFFFAOYSA-N
XLogP2.29
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[S-[(4-chlorophenyl)methyl]-N-ethylsulfonimidoyl]ethanamine?
The IUPAC name of 2-[S-[(4-chlorophenyl)methyl]-N-ethylsulfonimidoyl]ethanamine (CID 112540683) is 2-[S-[(4-chlorophenyl)methyl]-N-ethylsulfonimidoyl]ethanamine.
What is the SMILES notation for 2-[S-[(4-chlorophenyl)methyl]-N-ethylsulfonimidoyl]ethanamine?
The canonical SMILES for 2-[S-[(4-chlorophenyl)methyl]-N-ethylsulfonimidoyl]ethanamine is CCN=S(=O)(CCN)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[S-[(4-chlorophenyl)methyl]-N-ethylsulfonimidoyl]ethanamine?
The InChIKey is ZDDRCWSAOKIPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2OS/c1-2-14-16(15,8-7-13)9-10-3-5-11(12)6-4-10/h3-6H,2,7-9,13H2,1H3.
What are the key properties of 2-[S-[(4-chlorophenyl)methyl]-N-ethylsulfonimidoyl]ethanamine?
2-[S-[(4-chlorophenyl)methyl]-N-ethylsulfonimidoyl]ethanamine has a molecular weight of 260.79 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[S-[(4-chlorophenyl)methyl]-N-ethylsulfonimidoyl]ethanamine is sourced from PubChem (CID 112540683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).