2-(sulfinoamino)decane

C10H23NO2S — CID 57421744

IUPAC2-(sulfinoamino)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)
InChIKeyCPTKEZDVROPMGV-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.85
Rot. Bonds9

About 2-(sulfinoamino)decane

2-(sulfinoamino)decane (PubChem CID 57421744) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 2-(sulfinoamino)decane.

Molecular Properties

Compound Name2-(sulfinoamino)decane
PubChem CID57421744
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name2-(sulfinoamino)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)
InChIKeyCPTKEZDVROPMGV-UHFFFAOYSA-N
XLogP2.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

1-Dodecanamine, sulfate (1:?)
CID 170823
2-Heptanamine, sulfate (2:1)
CID 107130
1-Octanamine, sulfate (1:?)
CID 6452184
Nonylsulfamic acid
CID 24796781
Dodecylsulfam
CID 204302
Octylsulfamic acid
CID 15894852
Cyclononylsulfaminsaure
CID 67135870
Octylsulfamate
CID 21801554
Decylsulfamate
CID 24796778
Nonylsulfamate
CID 24796780
Decylsulfamic acid
CID 19987803
Dodecylazanium;hydrogen sulfate
CID 73555812

Frequently Asked Questions

What is the IUPAC name of 2-(sulfinoamino)decane?
The IUPAC name of 2-(sulfinoamino)decane (CID 57421744) is 2-(sulfinoamino)decane.
What is the SMILES notation for 2-(sulfinoamino)decane?
The canonical SMILES for 2-(sulfinoamino)decane is CCCCCCCCC(C)NS(=O)O.
What is the InChIKey of 2-(sulfinoamino)decane?
The InChIKey is CPTKEZDVROPMGV-UHFFFAOYSA-N. 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).
What are the key properties of 2-(sulfinoamino)decane?
2-(sulfinoamino)decane has a molecular weight of 221.37 g/mol, XLogP of 2.85, 9 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfinoamino)decane is sourced from PubChem (CID 57421744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).