ethane;N-(2-ethylphenyl)methanesulfinamide

C11H19NOS — CID 145394735

IUPACethane;N-(2-ethylphenyl)methanesulfinamide
SMILESCC.CCc1ccccc1NS(C)=O
InChIInChI=1S/C9H13NOS.C2H6/c1-3-8-6-4-5-7-9(8)10-12(2)11;1-2/h4-7,10H,3H2,1-2H3;1-2H3
InChIKeyHALKNRXUHLCTRW-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.98
Rot. Bonds3

About ethane;N-(2-ethylphenyl)methanesulfinamide

ethane;N-(2-ethylphenyl)methanesulfinamide (PubChem CID 145394735) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is ethane;N-(2-ethylphenyl)methanesulfinamide.

Molecular Properties

Compound Nameethane;N-(2-ethylphenyl)methanesulfinamide
PubChem CID145394735
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Nameethane;N-(2-ethylphenyl)methanesulfinamide
SMILESCC.CCc1ccccc1NS(C)=O
InChIInChI=1S/C9H13NOS.C2H6/c1-3-8-6-4-5-7-9(8)10-12(2)11;1-2/h4-7,10H,3H2,1-2H3;1-2H3
InChIKeyHALKNRXUHLCTRW-UHFFFAOYSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-ethylphenyl)methanesulfinamide?
The IUPAC name of ethane;N-(2-ethylphenyl)methanesulfinamide (CID 145394735) is ethane;N-(2-ethylphenyl)methanesulfinamide.
What is the SMILES notation for ethane;N-(2-ethylphenyl)methanesulfinamide?
The canonical SMILES for ethane;N-(2-ethylphenyl)methanesulfinamide is CC.CCc1ccccc1NS(C)=O.
What is the InChIKey of ethane;N-(2-ethylphenyl)methanesulfinamide?
The InChIKey is HALKNRXUHLCTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS.C2H6/c1-3-8-6-4-5-7-9(8)10-12(2)11;1-2/h4-7,10H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;N-(2-ethylphenyl)methanesulfinamide?
ethane;N-(2-ethylphenyl)methanesulfinamide has a molecular weight of 213.35 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-ethylphenyl)methanesulfinamide is sourced from PubChem (CID 145394735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).