3-ethyl-2,2-dimethyl-3-(sulfinoamino)pentane

C9H21NO2S — CID 57421740

IUPAC3-ethyl-2,2-dimethyl-3-(sulfinoamino)pentane
SMILESCCC(CC)(NS(=O)O)C(C)(C)C
InChIInChI=1S/C9H21NO2S/c1-6-9(7-2,8(3,4)5)10-13(11)12/h10H,6-7H2,1-5H3,(H,11,12)
InChIKeyUJPATLABYPLZIY-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.32
Rot. Bonds4

About 3-ethyl-2,2-dimethyl-3-(sulfinoamino)pentane

3-ethyl-2,2-dimethyl-3-(sulfinoamino)pentane (PubChem CID 57421740) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 3-ethyl-2,2-dimethyl-3-(sulfinoamino)pentane.

Molecular Properties

Compound Name3-ethyl-2,2-dimethyl-3-(sulfinoamino)pentane
PubChem CID57421740
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name3-ethyl-2,2-dimethyl-3-(sulfinoamino)pentane
SMILESCCC(CC)(NS(=O)O)C(C)(C)C
InChIInChI=1S/C9H21NO2S/c1-6-9(7-2,8(3,4)5)10-13(11)12/h10H,6-7H2,1-5H3,(H,11,12)
InChIKeyUJPATLABYPLZIY-UHFFFAOYSA-N
XLogP2.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethyl-2,2-dimethyl-3-(sulfinoamino)pentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,2-dimethyl-3-(sulfinoamino)pentane?
The IUPAC name of 3-ethyl-2,2-dimethyl-3-(sulfinoamino)pentane (CID 57421740) is 3-ethyl-2,2-dimethyl-3-(sulfinoamino)pentane.
What is the SMILES notation for 3-ethyl-2,2-dimethyl-3-(sulfinoamino)pentane?
The canonical SMILES for 3-ethyl-2,2-dimethyl-3-(sulfinoamino)pentane is CCC(CC)(NS(=O)O)C(C)(C)C.
What is the InChIKey of 3-ethyl-2,2-dimethyl-3-(sulfinoamino)pentane?
The InChIKey is UJPATLABYPLZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-6-9(7-2,8(3,4)5)10-13(11)12/h10H,6-7H2,1-5H3,(H,11,12).
What are the key properties of 3-ethyl-2,2-dimethyl-3-(sulfinoamino)pentane?
3-ethyl-2,2-dimethyl-3-(sulfinoamino)pentane has a molecular weight of 207.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,2-dimethyl-3-(sulfinoamino)pentane is sourced from PubChem (CID 57421740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).