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

C8H18NO2S- — CID 57177790

IUPAC1-[ethyl(sulfinato)amino]-2,3-dimethylbutane
SMILESCCN(CC(C)C(C)C)S(=O)[O-]
InChIInChI=1S/C8H19NO2S/c1-5-9(12(10)11)6-8(4)7(2)3/h7-8H,5-6H2,1-4H3,(H,10,11)/p-1
InChIKeyACLNRFHDEHKMJD-UHFFFAOYSA-M
MW192.30 g/mol
LogP1.39
Rot. Bonds5

About 1-[ethyl(sulfinato)amino]-2,3-dimethylbutane

1-[ethyl(sulfinato)amino]-2,3-dimethylbutane (PubChem CID 57177790) has the molecular formula C8H18NO2S- and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-[ethyl(sulfinato)amino]-2,3-dimethylbutane.

Molecular Properties

Compound Name1-[ethyl(sulfinato)amino]-2,3-dimethylbutane
PubChem CID57177790
Molecular FormulaC8H18NO2S-
Molecular Weight192.30 g/mol
Exact Mass192.11
IUPAC Name1-[ethyl(sulfinato)amino]-2,3-dimethylbutane
SMILESCCN(CC(C)C(C)C)S(=O)[O-]
InChIInChI=1S/C8H19NO2S/c1-5-9(12(10)11)6-8(4)7(2)3/h7-8H,5-6H2,1-4H3,(H,10,11)/p-1
InChIKeyACLNRFHDEHKMJD-UHFFFAOYSA-M
XLogP1.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 51.39
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 1-[ethyl(sulfinato)amino]-2,3-dimethylbutane?
The IUPAC name of 1-[ethyl(sulfinato)amino]-2,3-dimethylbutane (CID 57177790) is 1-[ethyl(sulfinato)amino]-2,3-dimethylbutane.
What is the SMILES notation for 1-[ethyl(sulfinato)amino]-2,3-dimethylbutane?
The canonical SMILES for 1-[ethyl(sulfinato)amino]-2,3-dimethylbutane is CCN(CC(C)C(C)C)S(=O)[O-].
What is the InChIKey of 1-[ethyl(sulfinato)amino]-2,3-dimethylbutane?
The InChIKey is ACLNRFHDEHKMJD-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19NO2S/c1-5-9(12(10)11)6-8(4)7(2)3/h7-8H,5-6H2,1-4H3,(H,10,11)/p-1.
What are the key properties of 1-[ethyl(sulfinato)amino]-2,3-dimethylbutane?
1-[ethyl(sulfinato)amino]-2,3-dimethylbutane has a molecular weight of 192.30 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(sulfinato)amino]-2,3-dimethylbutane is sourced from PubChem (CID 57177790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).