3-methyl-3-(sulfinoamino)hexane

C7H17NO2S — CID 57467027

IUPAC3-methyl-3-(sulfinoamino)hexane
SMILESCCCC(C)(CC)NS(=O)O
InChIInChI=1S/C7H17NO2S/c1-4-6-7(3,5-2)8-11(9)10/h8H,4-6H2,1-3H3,(H,9,10)
InChIKeyMNPOPCUGSCUXJC-UHFFFAOYSA-N
MW179.28 g/mol
LogP1.68
Rot. Bonds5

About 3-methyl-3-(sulfinoamino)hexane

3-methyl-3-(sulfinoamino)hexane (PubChem CID 57467027) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is 3-methyl-3-(sulfinoamino)hexane.

Molecular Properties

Compound Name3-methyl-3-(sulfinoamino)hexane
PubChem CID57467027
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC Name3-methyl-3-(sulfinoamino)hexane
SMILESCCCC(C)(CC)NS(=O)O
InChIInChI=1S/C7H17NO2S/c1-4-6-7(3,5-2)8-11(9)10/h8H,4-6H2,1-3H3,(H,9,10)
InChIKeyMNPOPCUGSCUXJC-UHFFFAOYSA-N
XLogP1.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 51.68
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 3-methyl-3-(sulfinoamino)hexane?
The IUPAC name of 3-methyl-3-(sulfinoamino)hexane (CID 57467027) is 3-methyl-3-(sulfinoamino)hexane.
What is the SMILES notation for 3-methyl-3-(sulfinoamino)hexane?
The canonical SMILES for 3-methyl-3-(sulfinoamino)hexane is CCCC(C)(CC)NS(=O)O.
What is the InChIKey of 3-methyl-3-(sulfinoamino)hexane?
The InChIKey is MNPOPCUGSCUXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-4-6-7(3,5-2)8-11(9)10/h8H,4-6H2,1-3H3,(H,9,10).
What are the key properties of 3-methyl-3-(sulfinoamino)hexane?
3-methyl-3-(sulfinoamino)hexane has a molecular weight of 179.28 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(sulfinoamino)hexane is sourced from PubChem (CID 57467027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).