3-[ethyl(sulfinato)amino]-2,2-dimethylbutane

C8H18NO2S- — CID 57316498

IUPAC3-[ethyl(sulfinato)amino]-2,2-dimethylbutane
SMILESCCN(C(C)C(C)(C)C)S(=O)[O-]
InChIInChI=1S/C8H19NO2S/c1-6-9(12(10)11)7(2)8(3,4)5/h7H,6H2,1-5H3,(H,10,11)/p-1
InChIKeyNNCXGTGSOJCJLF-UHFFFAOYSA-M
MW192.30 g/mol
LogP1.54
Rot. Bonds3

About 3-[ethyl(sulfinato)amino]-2,2-dimethylbutane

3-[ethyl(sulfinato)amino]-2,2-dimethylbutane (PubChem CID 57316498) has the molecular formula C8H18NO2S- and a molecular weight of 192.30 g/mol. Its IUPAC name is 3-[ethyl(sulfinato)amino]-2,2-dimethylbutane.

Molecular Properties

Compound Name3-[ethyl(sulfinato)amino]-2,2-dimethylbutane
PubChem CID57316498
Molecular FormulaC8H18NO2S-
Molecular Weight192.30 g/mol
Exact Mass192.11
IUPAC Name3-[ethyl(sulfinato)amino]-2,2-dimethylbutane
SMILESCCN(C(C)C(C)(C)C)S(=O)[O-]
InChIInChI=1S/C8H19NO2S/c1-6-9(12(10)11)7(2)8(3,4)5/h7H,6H2,1-5H3,(H,10,11)/p-1
InChIKeyNNCXGTGSOJCJLF-UHFFFAOYSA-M
XLogP1.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(sulfinato)amino]-2,2-dimethylbutane?
The IUPAC name of 3-[ethyl(sulfinato)amino]-2,2-dimethylbutane (CID 57316498) is 3-[ethyl(sulfinato)amino]-2,2-dimethylbutane.
What is the SMILES notation for 3-[ethyl(sulfinato)amino]-2,2-dimethylbutane?
The canonical SMILES for 3-[ethyl(sulfinato)amino]-2,2-dimethylbutane is CCN(C(C)C(C)(C)C)S(=O)[O-].
What is the InChIKey of 3-[ethyl(sulfinato)amino]-2,2-dimethylbutane?
The InChIKey is NNCXGTGSOJCJLF-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19NO2S/c1-6-9(12(10)11)7(2)8(3,4)5/h7H,6H2,1-5H3,(H,10,11)/p-1.
What are the key properties of 3-[ethyl(sulfinato)amino]-2,2-dimethylbutane?
3-[ethyl(sulfinato)amino]-2,2-dimethylbutane has a molecular weight of 192.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(sulfinato)amino]-2,2-dimethylbutane is sourced from PubChem (CID 57316498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).