2,6-dimethyl-6-(sulfinoamino)octane

C10H23NO2S — CID 57421750

IUPAC2,6-dimethyl-6-(sulfinoamino)octane
SMILESCCC(C)(CCCC(C)C)NS(=O)O
InChIInChI=1S/C10H23NO2S/c1-5-10(4,11-14(12)13)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3,(H,12,13)
InChIKeyKIAMNMNCQHZJQO-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.71
Rot. Bonds7

About 2,6-dimethyl-6-(sulfinoamino)octane

2,6-dimethyl-6-(sulfinoamino)octane (PubChem CID 57421750) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 2,6-dimethyl-6-(sulfinoamino)octane.

Molecular Properties

Compound Name2,6-dimethyl-6-(sulfinoamino)octane
PubChem CID57421750
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name2,6-dimethyl-6-(sulfinoamino)octane
SMILESCCC(C)(CCCC(C)C)NS(=O)O
InChIInChI=1S/C10H23NO2S/c1-5-10(4,11-14(12)13)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3,(H,12,13)
InChIKeyKIAMNMNCQHZJQO-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(4-methylpentyl)pentan-3-amine
CID 102672207
6-[3,7-dimethyloctan-3-yl(sulfinato)amino]-2,6-dimethyloctane
CID 91802071
N-butyl-2,2,5-trimethylhexanamide
CID 145422242
2-ethyl-2,6-dimethylheptanal
CID 57421645
5-methyl-1-(sulfinoamino)hexane
CID 175257110
1-chloro-3-methyl-N-(4-methylpentyl)pentan-3-amine
CID 106167492
2,2-diethyl-8-methylnonanoic acid
CID 162011616
2-(ethylamino)-2-methyl-6-(4-methylpentoxy)hexan-1-ol
CID 64802741
N-(2,6-dimethylheptan-2-yl)hydroxylamine
CID 138599633
3,7-dimethyloctan-3-yl propanoate
CID 166045706
1-(2,13-dimethyltetradecan-2-yloxy)-2-methylpropan-2-ol
CID 146553974
6-ethyl-2,6,7-trimethyldecane
CID 123269799

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-6-(sulfinoamino)octane?
The IUPAC name of 2,6-dimethyl-6-(sulfinoamino)octane (CID 57421750) is 2,6-dimethyl-6-(sulfinoamino)octane.
What is the SMILES notation for 2,6-dimethyl-6-(sulfinoamino)octane?
The canonical SMILES for 2,6-dimethyl-6-(sulfinoamino)octane is CCC(C)(CCCC(C)C)NS(=O)O.
What is the InChIKey of 2,6-dimethyl-6-(sulfinoamino)octane?
The InChIKey is KIAMNMNCQHZJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-5-10(4,11-14(12)13)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3,(H,12,13).
What are the key properties of 2,6-dimethyl-6-(sulfinoamino)octane?
2,6-dimethyl-6-(sulfinoamino)octane has a molecular weight of 221.37 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-6-(sulfinoamino)octane is sourced from PubChem (CID 57421750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).