N-(2-methoxyethyl)-2-methylpropane-2-sulfinamide

C7H17NO2S — CID 130418047

IUPACN-(2-methoxyethyl)-2-methylpropane-2-sulfinamide
SMILESCOCCNS(=O)C(C)(C)C
InChIInChI=1S/C7H17NO2S/c1-7(2,3)11(9)8-5-6-10-4/h8H,5-6H2,1-4H3
InChIKeyQMQIRTHULAWRRX-UHFFFAOYSA-N
MW179.28 g/mol
LogP0.68
Rot. Bonds4

About N-(2-methoxyethyl)-2-methylpropane-2-sulfinamide

N-(2-methoxyethyl)-2-methylpropane-2-sulfinamide (PubChem CID 130418047) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methylpropane-2-sulfinamide
PubChem CID130418047
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN-(2-methoxyethyl)-2-methylpropane-2-sulfinamide
SMILESCOCCNS(=O)C(C)(C)C
InChIInChI=1S/C7H17NO2S/c1-7(2,3)11(9)8-5-6-10-4/h8H,5-6H2,1-4H3
InChIKeyQMQIRTHULAWRRX-UHFFFAOYSA-N
XLogP0.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(tert-butylsulfinylamino)butanoate
CID 141328715
methyl 3-(2-methoxyethylamino)-2,2-dimethylpropanoate
CID 79629121
1-methoxy-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 62774154
N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54806858
4-methoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62724351
N-(2-methoxyethyl)-3-(2-methoxyethylsulfinyl)propan-1-amine
CID 64652701
3-(2-methoxyethylamino)-2,2-dimethylpropanamide
CID 106276159
1-N-(2-methoxyethyl)-3-methylbutane-1,3-diamine
CID 64681637
3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103019869
N-(2-methoxyethyl)-2-oxoacetamide
CID 21031057
2-(2-methoxyethylamino)acetaldehyde
CID 54243184
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(2-methoxyethyl)-2-methylpropane-2-sulfinamide (CID 130418047) is N-(2-methoxyethyl)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(2-methoxyethyl)-2-methylpropane-2-sulfinamide is COCCNS(=O)C(C)(C)C.
What is the InChIKey of N-(2-methoxyethyl)-2-methylpropane-2-sulfinamide?
The InChIKey is QMQIRTHULAWRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-7(2,3)11(9)8-5-6-10-4/h8H,5-6H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-2-methylpropane-2-sulfinamide?
N-(2-methoxyethyl)-2-methylpropane-2-sulfinamide has a molecular weight of 179.28 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 130418047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).