2-(sulfinatoamino)decane

C10H22NO2S- — CID 57421743

IUPAC2-(sulfinatoamino)decane
SMILESCCCCCCCCC(C)NS(=O)[O-]
InChIInChI=1S/C10H23NO2S/c1-3-4-5-6-7-8-9-10(2)11-14(12)13/h10-11H,3-9H2,1-2H3,(H,12,13)/p-1
InChIKeyCPTKEZDVROPMGV-UHFFFAOYSA-M
MW220.36 g/mol
LogP2.51
Rot. Bonds9

About 2-(sulfinatoamino)decane

2-(sulfinatoamino)decane (PubChem CID 57421743) has the molecular formula C10H22NO2S- and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-(sulfinatoamino)decane.

Molecular Properties

Compound Name2-(sulfinatoamino)decane
PubChem CID57421743
Molecular FormulaC10H22NO2S-
Molecular Weight220.36 g/mol
Exact Mass220.14
IUPAC Name2-(sulfinatoamino)decane
SMILESCCCCCCCCC(C)NS(=O)[O-]
InChIInChI=1S/C10H23NO2S/c1-3-4-5-6-7-8-9-10(2)11-14(12)13/h10-11H,3-9H2,1-2H3,(H,12,13)/p-1
InChIKeyCPTKEZDVROPMGV-UHFFFAOYSA-M
XLogP2.51
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Nonylsulfamic acid
CID 24796781
N-tetradecylsulfamide
CID 16103196
1-(Sulfamoylamino)dodecane
CID 44418905
1-(Sulfamoylamino)decane
CID 53775568
Octylsulfamic acid
CID 15894852
Decylsulfamic acid
CID 19987803
Cyclooctylsulfamate
CID 23688976
Dodecylsulfam
CID 204302
Octylsulfamate
CID 21801554
Decylsulfamate
CID 24796778
Nonylsulfamate
CID 24796780
N-decylsulfamoyl fluoride
CID 151617025

Frequently Asked Questions

What is the IUPAC name of 2-(sulfinatoamino)decane?
The IUPAC name of 2-(sulfinatoamino)decane (CID 57421743) is 2-(sulfinatoamino)decane.
What is the SMILES notation for 2-(sulfinatoamino)decane?
The canonical SMILES for 2-(sulfinatoamino)decane is CCCCCCCCC(C)NS(=O)[O-].
What is the InChIKey of 2-(sulfinatoamino)decane?
The InChIKey is CPTKEZDVROPMGV-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H23NO2S/c1-3-4-5-6-7-8-9-10(2)11-14(12)13/h10-11H,3-9H2,1-2H3,(H,12,13)/p-1.
What are the key properties of 2-(sulfinatoamino)decane?
2-(sulfinatoamino)decane has a molecular weight of 220.36 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfinatoamino)decane is sourced from PubChem (CID 57421743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).