1-[2-(sulfinatoamino)ethoxy]decane

C12H26NO3S- — CID 57270698

IUPAC1-[2-(sulfinatoamino)ethoxy]decane
SMILESCCCCCCCCCCOCCNS(=O)[O-]
InChIInChI=1S/C12H27NO3S/c1-2-3-4-5-6-7-8-9-11-16-12-10-13-17(14)15/h13H,2-12H2,1H3,(H,14,15)/p-1
InChIKeyMDLPMBZDTLALQC-UHFFFAOYSA-M
MW264.41 g/mol
LogP2.53
Rot. Bonds13

About 1-[2-(sulfinatoamino)ethoxy]decane

1-[2-(sulfinatoamino)ethoxy]decane (PubChem CID 57270698) has the molecular formula C12H26NO3S- and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-[2-(sulfinatoamino)ethoxy]decane.

Molecular Properties

Compound Name1-[2-(sulfinatoamino)ethoxy]decane
PubChem CID57270698
Molecular FormulaC12H26NO3S-
Molecular Weight264.41 g/mol
Exact Mass264.16
IUPAC Name1-[2-(sulfinatoamino)ethoxy]decane
SMILESCCCCCCCCCCOCCNS(=O)[O-]
InChIInChI=1S/C12H27NO3S/c1-2-3-4-5-6-7-8-9-11-16-12-10-13-17(14)15/h13H,2-12H2,1H3,(H,14,15)/p-1
InChIKeyMDLPMBZDTLALQC-UHFFFAOYSA-M
XLogP2.53
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-(sulfinoamino)ethoxy]pentadecane
CID 57250596
sodium;1-dodecoxydodecane;sulfite
CID 89262454
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CID 175378194
3-dodecoxypropane-1-sulfinate
CID 57250750
CID 159860963
CID 159860963
N-(2-undecoxyethyl)propan-1-amine
CID 22091510
2-ethoxy-N-(2-octoxyethyl)ethanamine
CID 62597622
1-decoxydocosane
CID 87077677
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-dodecoxyhexadecane
CID 22256973
1-heptoxydocosane
CID 91692957

Frequently Asked Questions

What is the IUPAC name of 1-[2-(sulfinatoamino)ethoxy]decane?
The IUPAC name of 1-[2-(sulfinatoamino)ethoxy]decane (CID 57270698) is 1-[2-(sulfinatoamino)ethoxy]decane.
What is the SMILES notation for 1-[2-(sulfinatoamino)ethoxy]decane?
The canonical SMILES for 1-[2-(sulfinatoamino)ethoxy]decane is CCCCCCCCCCOCCNS(=O)[O-].
What is the InChIKey of 1-[2-(sulfinatoamino)ethoxy]decane?
The InChIKey is MDLPMBZDTLALQC-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H27NO3S/c1-2-3-4-5-6-7-8-9-11-16-12-10-13-17(14)15/h13H,2-12H2,1H3,(H,14,15)/p-1.
What are the key properties of 1-[2-(sulfinatoamino)ethoxy]decane?
1-[2-(sulfinatoamino)ethoxy]decane has a molecular weight of 264.41 g/mol, XLogP of 2.53, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(sulfinatoamino)ethoxy]decane is sourced from PubChem (CID 57270698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).