2,2,4-trimethyl-4-(sulfinatoamino)pentane

C8H18NO2S- — CID 19988469

IUPAC2,2,4-trimethyl-4-(sulfinatoamino)pentane
SMILESCC(C)(C)CC(C)(C)NS(=O)[O-]
InChIInChI=1S/C8H19NO2S/c1-7(2,3)6-8(4,5)9-12(10)11/h9H,6H2,1-5H3,(H,10,11)/p-1
InChIKeyXGDRDRHYTTWOIG-UHFFFAOYSA-M
MW192.30 g/mol
LogP1.58
Rot. Bonds3

About 2,2,4-trimethyl-4-(sulfinatoamino)pentane

2,2,4-trimethyl-4-(sulfinatoamino)pentane (PubChem CID 19988469) has the molecular formula C8H18NO2S- and a molecular weight of 192.30 g/mol. Its IUPAC name is 2,2,4-trimethyl-4-(sulfinatoamino)pentane.

Molecular Properties

Compound Name2,2,4-trimethyl-4-(sulfinatoamino)pentane
PubChem CID19988469
Molecular FormulaC8H18NO2S-
Molecular Weight192.30 g/mol
Exact Mass192.11
IUPAC Name2,2,4-trimethyl-4-(sulfinatoamino)pentane
SMILESCC(C)(C)CC(C)(C)NS(=O)[O-]
InChIInChI=1S/C8H19NO2S/c1-7(2,3)6-8(4,5)9-12(10)11/h9H,6H2,1-5H3,(H,10,11)/p-1
InChIKeyXGDRDRHYTTWOIG-UHFFFAOYSA-M
XLogP1.58
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
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 2,2,4-trimethyl-4-(sulfinatoamino)pentane?
The IUPAC name of 2,2,4-trimethyl-4-(sulfinatoamino)pentane (CID 19988469) is 2,2,4-trimethyl-4-(sulfinatoamino)pentane.
What is the SMILES notation for 2,2,4-trimethyl-4-(sulfinatoamino)pentane?
The canonical SMILES for 2,2,4-trimethyl-4-(sulfinatoamino)pentane is CC(C)(C)CC(C)(C)NS(=O)[O-].
What is the InChIKey of 2,2,4-trimethyl-4-(sulfinatoamino)pentane?
The InChIKey is XGDRDRHYTTWOIG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19NO2S/c1-7(2,3)6-8(4,5)9-12(10)11/h9H,6H2,1-5H3,(H,10,11)/p-1.
What are the key properties of 2,2,4-trimethyl-4-(sulfinatoamino)pentane?
2,2,4-trimethyl-4-(sulfinatoamino)pentane has a molecular weight of 192.30 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-4-(sulfinatoamino)pentane is sourced from PubChem (CID 19988469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).