1-[ethyl(sulfino)amino]-2-methylpropane

C6H15NO2S — CID 57277898

IUPAC1-[ethyl(sulfino)amino]-2-methylpropane
SMILESCCN(CC(C)C)S(=O)O
InChIInChI=1S/C6H15NO2S/c1-4-7(10(8)9)5-6(2)3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyYJAXSHDWCVWCPS-UHFFFAOYSA-N
MW165.26 g/mol
LogP1.10
Rot. Bonds4

About 1-[ethyl(sulfino)amino]-2-methylpropane

1-[ethyl(sulfino)amino]-2-methylpropane (PubChem CID 57277898) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is 1-[ethyl(sulfino)amino]-2-methylpropane.

Molecular Properties

Compound Name1-[ethyl(sulfino)amino]-2-methylpropane
PubChem CID57277898
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC Name1-[ethyl(sulfino)amino]-2-methylpropane
SMILESCCN(CC(C)C)S(=O)O
InChIInChI=1S/C6H15NO2S/c1-4-7(10(8)9)5-6(2)3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyYJAXSHDWCVWCPS-UHFFFAOYSA-N
XLogP1.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethylaminosulfinic acid
CID 12650411
Dipropyl sulfonamide
CID 21161749
1-[Propyl(sulfino)amino]propane
CID 17894619
1-[Propyl(sulfino)amino]butane
CID 17989661
Dipropylsulfamic acid
CID 18943127
1-[Methyl(sulfino)amino]propane
CID 19356943
2-Methyl-1-[methyl(sulfinato)amino]propane
CID 19733479
1-[Ethyl(sulfino)amino]propane
CID 20575325
2-Methyl-1-[2-methylpropyl(sulfinato)amino]propane
CID 21933602
Bis(2-methylpropyl)sulfamic acid
CID 22157027
1-[Ethyl(sulfinato)amino]propane
CID 22988954
Methyl(propyl)sulfamic acid
CID 23332149

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(sulfino)amino]-2-methylpropane?
The IUPAC name of 1-[ethyl(sulfino)amino]-2-methylpropane (CID 57277898) is 1-[ethyl(sulfino)amino]-2-methylpropane.
What is the SMILES notation for 1-[ethyl(sulfino)amino]-2-methylpropane?
The canonical SMILES for 1-[ethyl(sulfino)amino]-2-methylpropane is CCN(CC(C)C)S(=O)O.
What is the InChIKey of 1-[ethyl(sulfino)amino]-2-methylpropane?
The InChIKey is YJAXSHDWCVWCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-4-7(10(8)9)5-6(2)3/h6H,4-5H2,1-3H3,(H,8,9).
What are the key properties of 1-[ethyl(sulfino)amino]-2-methylpropane?
1-[ethyl(sulfino)amino]-2-methylpropane has a molecular weight of 165.26 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(sulfino)amino]-2-methylpropane is sourced from PubChem (CID 57277898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).