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

C8H19NO2S — CID 19988470

IUPAC2,2,4-trimethyl-4-(sulfinoamino)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)
InChIKeyXGDRDRHYTTWOIG-UHFFFAOYSA-N
MW193.31 g/mol
LogP1.93
Rot. Bonds3

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

2,2,4-trimethyl-4-(sulfinoamino)pentane (PubChem CID 19988470) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 2,2,4-trimethyl-4-(sulfinoamino)pentane.

Molecular Properties

Compound Name2,2,4-trimethyl-4-(sulfinoamino)pentane
PubChem CID19988470
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name2,2,4-trimethyl-4-(sulfinoamino)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)
InChIKeyXGDRDRHYTTWOIG-UHFFFAOYSA-N
XLogP1.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-(sulfinoamino)pentane?
The IUPAC name of 2,2,4-trimethyl-4-(sulfinoamino)pentane (CID 19988470) is 2,2,4-trimethyl-4-(sulfinoamino)pentane.
What is the SMILES notation for 2,2,4-trimethyl-4-(sulfinoamino)pentane?
The canonical SMILES for 2,2,4-trimethyl-4-(sulfinoamino)pentane is CC(C)(C)CC(C)(C)NS(=O)O.
What is the InChIKey of 2,2,4-trimethyl-4-(sulfinoamino)pentane?
The InChIKey is XGDRDRHYTTWOIG-UHFFFAOYSA-N. 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).
What are the key properties of 2,2,4-trimethyl-4-(sulfinoamino)pentane?
2,2,4-trimethyl-4-(sulfinoamino)pentane has a molecular weight of 193.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-4-(sulfinoamino)pentane is sourced from PubChem (CID 19988470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).