3,7-dimethyl-1-(sulfinoamino)octane

C10H23NO2S — CID 57421748

IUPAC3,7-dimethyl-1-(sulfinoamino)octane
SMILESCC(C)CCCC(C)CCNS(=O)O
InChIInChI=1S/C10H23NO2S/c1-9(2)5-4-6-10(3)7-8-11-14(12)13/h9-11H,4-8H2,1-3H3,(H,12,13)
InChIKeyKJSPRTRFNWVHCI-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.57
Rot. Bonds8

About 3,7-dimethyl-1-(sulfinoamino)octane

3,7-dimethyl-1-(sulfinoamino)octane (PubChem CID 57421748) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 3,7-dimethyl-1-(sulfinoamino)octane.

Molecular Properties

Compound Name3,7-dimethyl-1-(sulfinoamino)octane
PubChem CID57421748
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name3,7-dimethyl-1-(sulfinoamino)octane
SMILESCC(C)CCCC(C)CCNS(=O)O
InChIInChI=1S/C10H23NO2S/c1-9(2)5-4-6-10(3)7-8-11-14(12)13/h9-11H,4-8H2,1-3H3,(H,12,13)
InChIKeyKJSPRTRFNWVHCI-UHFFFAOYSA-N
XLogP2.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.57
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

(7-Methyloctyl)sulfamic acid
CID 24796789
(9-Methyldecyl)sulfamate
CID 24796784
(8-Methylnonyl)sulfamate
CID 24796786
(7-Methyloctyl)sulfamate
CID 24796788
(9-Methyldecyl)sulfamic acid
CID 24796785
(8-Methylnonyl)sulfamic acid
CID 24796787
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-9-[(sulfinoamino)methyl]tridecane
CID 54395501
1-(Methoxysulfinylamino)-13-methylpentadecane
CID 20669578
3-Methylheptan-2-ylsulfamic acid
CID 21497854
6-Methyl-1-(sulfinatoamino)heptane
CID 22376959
1-Cyclohexylethylsulfamic acid
CID 23466966
2-(Sulfinatoamino)ethylcyclohexane
CID 57019003

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-(sulfinoamino)octane?
The IUPAC name of 3,7-dimethyl-1-(sulfinoamino)octane (CID 57421748) is 3,7-dimethyl-1-(sulfinoamino)octane.
What is the SMILES notation for 3,7-dimethyl-1-(sulfinoamino)octane?
The canonical SMILES for 3,7-dimethyl-1-(sulfinoamino)octane is CC(C)CCCC(C)CCNS(=O)O.
What is the InChIKey of 3,7-dimethyl-1-(sulfinoamino)octane?
The InChIKey is KJSPRTRFNWVHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-9(2)5-4-6-10(3)7-8-11-14(12)13/h9-11H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 3,7-dimethyl-1-(sulfinoamino)octane?
3,7-dimethyl-1-(sulfinoamino)octane has a molecular weight of 221.37 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1-(sulfinoamino)octane is sourced from PubChem (CID 57421748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).