2-[ethyl(sulfinato)amino]-2-methylbutane

C7H16NO2S- — CID 57321721

IUPAC2-[ethyl(sulfinato)amino]-2-methylbutane
SMILESCCN(S(=O)[O-])C(C)(C)CC
InChIInChI=1S/C7H17NO2S/c1-5-7(3,4)8(6-2)11(9)10/h5-6H2,1-4H3,(H,9,10)/p-1
InChIKeyJKNQNFSIEPDHCR-UHFFFAOYSA-M
MW178.28 g/mol
LogP1.29
Rot. Bonds4

About 2-[ethyl(sulfinato)amino]-2-methylbutane

2-[ethyl(sulfinato)amino]-2-methylbutane (PubChem CID 57321721) has the molecular formula C7H16NO2S- and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-[ethyl(sulfinato)amino]-2-methylbutane.

Molecular Properties

Compound Name2-[ethyl(sulfinato)amino]-2-methylbutane
PubChem CID57321721
Molecular FormulaC7H16NO2S-
Molecular Weight178.28 g/mol
Exact Mass178.09
IUPAC Name2-[ethyl(sulfinato)amino]-2-methylbutane
SMILESCCN(S(=O)[O-])C(C)(C)CC
InChIInChI=1S/C7H17NO2S/c1-5-7(3,4)8(6-2)11(9)10/h5-6H2,1-4H3,(H,9,10)/p-1
InChIKeyJKNQNFSIEPDHCR-UHFFFAOYSA-M
XLogP1.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-[2-methylbutan-2-yl(sulfinato)amino]butane
CID 91586029
3-[ethyl(sulfino)amino]-3-methylpentane
CID 22179182
CID 101012974
CID 101012974
6-[3,7-dimethyloctan-3-yl(sulfinato)amino]-2,6-dimethyloctane
CID 91802071
3-ethyl-2,2-dimethylpentane-3-sulfinate
CID 57421679
CID 174084849
CID 174084849
propane sulfite
CID 21270602
N-tert-butyl-N-ethyl-2-methylbutan-2-amine
CID 149170814
1,1-diaminoethanesulfinate
CID 90404877
N,N-bis[2-methylbutan-2-yl(oxido)amino]methanamine
CID 163431704
[methyl(sulfinato)amino]methane
CID 6415703
1-[ethyl(methyl)amino]-2-[methyl(sulfinato)amino]ethane
CID 163809911

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(sulfinato)amino]-2-methylbutane?
The IUPAC name of 2-[ethyl(sulfinato)amino]-2-methylbutane (CID 57321721) is 2-[ethyl(sulfinato)amino]-2-methylbutane.
What is the SMILES notation for 2-[ethyl(sulfinato)amino]-2-methylbutane?
The canonical SMILES for 2-[ethyl(sulfinato)amino]-2-methylbutane is CCN(S(=O)[O-])C(C)(C)CC.
What is the InChIKey of 2-[ethyl(sulfinato)amino]-2-methylbutane?
The InChIKey is JKNQNFSIEPDHCR-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H17NO2S/c1-5-7(3,4)8(6-2)11(9)10/h5-6H2,1-4H3,(H,9,10)/p-1.
What are the key properties of 2-[ethyl(sulfinato)amino]-2-methylbutane?
2-[ethyl(sulfinato)amino]-2-methylbutane has a molecular weight of 178.28 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(sulfinato)amino]-2-methylbutane is sourced from PubChem (CID 57321721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).