3-[ethyl(sulfinato)amino]-2-methylpentane

C8H18NO2S- — CID 56997275

IUPAC3-[ethyl(sulfinato)amino]-2-methylpentane
SMILESCCC(C(C)C)N(CC)S(=O)[O-]
InChIInChI=1S/C8H19NO2S/c1-5-8(7(3)4)9(6-2)12(10)11/h7-8H,5-6H2,1-4H3,(H,10,11)/p-1
InChIKeyKGAYKBFCSLXIEG-UHFFFAOYSA-M
MW192.30 g/mol
LogP1.54
Rot. Bonds5

About 3-[ethyl(sulfinato)amino]-2-methylpentane

3-[ethyl(sulfinato)amino]-2-methylpentane (PubChem CID 56997275) has the molecular formula C8H18NO2S- and a molecular weight of 192.30 g/mol. Its IUPAC name is 3-[ethyl(sulfinato)amino]-2-methylpentane.

Molecular Properties

Compound Name3-[ethyl(sulfinato)amino]-2-methylpentane
PubChem CID56997275
Molecular FormulaC8H18NO2S-
Molecular Weight192.30 g/mol
Exact Mass192.11
IUPAC Name3-[ethyl(sulfinato)amino]-2-methylpentane
SMILESCCC(C(C)C)N(CC)S(=O)[O-]
InChIInChI=1S/C8H19NO2S/c1-5-8(7(3)4)9(6-2)12(10)11/h7-8H,5-6H2,1-4H3,(H,10,11)/p-1
InChIKeyKGAYKBFCSLXIEG-UHFFFAOYSA-M
XLogP1.54
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 ≤ 51.54
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-methylpentane?
The IUPAC name of 3-[ethyl(sulfinato)amino]-2-methylpentane (CID 56997275) is 3-[ethyl(sulfinato)amino]-2-methylpentane.
What is the SMILES notation for 3-[ethyl(sulfinato)amino]-2-methylpentane?
The canonical SMILES for 3-[ethyl(sulfinato)amino]-2-methylpentane is CCC(C(C)C)N(CC)S(=O)[O-].
What is the InChIKey of 3-[ethyl(sulfinato)amino]-2-methylpentane?
The InChIKey is KGAYKBFCSLXIEG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19NO2S/c1-5-8(7(3)4)9(6-2)12(10)11/h7-8H,5-6H2,1-4H3,(H,10,11)/p-1.
What are the key properties of 3-[ethyl(sulfinato)amino]-2-methylpentane?
3-[ethyl(sulfinato)amino]-2-methylpentane has a molecular weight of 192.30 g/mol, XLogP of 1.54, 5 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-methylpentane is sourced from PubChem (CID 56997275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).