5-ethyl-2-methoxybenzenesulfinamide

C9H13NO2S — CID 170149916

IUPAC5-ethyl-2-methoxybenzenesulfinamide
SMILESCCc1ccc(OC)c(S(N)=O)c1
InChIInChI=1S/C9H13NO2S/c1-3-7-4-5-8(12-2)9(6-7)13(10)11/h4-6H,3,10H2,1-2H3
InChIKeyWQEIPQXGWNKDII-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.24
Rot. Bonds3

About 5-ethyl-2-methoxybenzenesulfinamide

5-ethyl-2-methoxybenzenesulfinamide (PubChem CID 170149916) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 5-ethyl-2-methoxybenzenesulfinamide.

Molecular Properties

Compound Name5-ethyl-2-methoxybenzenesulfinamide
PubChem CID170149916
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name5-ethyl-2-methoxybenzenesulfinamide
SMILESCCc1ccc(OC)c(S(N)=O)c1
InChIInChI=1S/C9H13NO2S/c1-3-7-4-5-8(12-2)9(6-7)13(10)11/h4-6H,3,10H2,1-2H3
InChIKeyWQEIPQXGWNKDII-UHFFFAOYSA-N
XLogP1.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-aminoethyl)-2-methoxybenzenesulfinamide
CID 142914448
5-ethyl-2-methoxybenzoic acid
CID 20721149
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
2-(bromomethyl)-4-ethyl-1-methoxybenzene
CID 116932379
chloro-(5-ethyl-2-methoxyphenyl)methanamine
CID 116947761
(4-ethyl-2-methoxyphenyl) acetate;propane
CID 160615709
N-(bromomethyl)-5-ethyl-2-methoxy-N-methylaniline
CID 115261714
(5-ethyl-2-methoxyphenyl)iminoazanium
CID 18737677
ethyl 2-(dimethylamino)-2-(5-ethyl-2-methoxyphenyl)acetate
CID 116914250
2-amino-2-(5-ethyl-2-methoxyphenyl)ethanethiol
CID 116830495
2-(5-ethyl-2-methoxyphenyl)cyclopropan-1-amine
CID 82468880
N'-[(5-ethyl-2-methoxyphenyl)methyl]methanediamine
CID 115225717

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methoxybenzenesulfinamide?
The IUPAC name of 5-ethyl-2-methoxybenzenesulfinamide (CID 170149916) is 5-ethyl-2-methoxybenzenesulfinamide.
What is the SMILES notation for 5-ethyl-2-methoxybenzenesulfinamide?
The canonical SMILES for 5-ethyl-2-methoxybenzenesulfinamide is CCc1ccc(OC)c(S(N)=O)c1.
What is the InChIKey of 5-ethyl-2-methoxybenzenesulfinamide?
The InChIKey is WQEIPQXGWNKDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-3-7-4-5-8(12-2)9(6-7)13(10)11/h4-6H,3,10H2,1-2H3.
What are the key properties of 5-ethyl-2-methoxybenzenesulfinamide?
5-ethyl-2-methoxybenzenesulfinamide has a molecular weight of 199.28 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methoxybenzenesulfinamide is sourced from PubChem (CID 170149916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).