1-[2-(sulfinoamino)ethoxy]pentadecane

C17H37NO3S — CID 57250596

IUPAC1-[2-(sulfinoamino)ethoxy]pentadecane
SMILESCCCCCCCCCCCCCCCOCCNS(=O)O
InChIInChI=1S/C17H37NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21-17-15-18-22(19)20/h18H,2-17H2,1H3,(H,19,20)
InChIKeyAOARHSGXFWLUCM-UHFFFAOYSA-N
MW335.55 g/mol
LogP4.82
Rot. Bonds18

About 1-[2-(sulfinoamino)ethoxy]pentadecane

1-[2-(sulfinoamino)ethoxy]pentadecane (PubChem CID 57250596) has the molecular formula C17H37NO3S and a molecular weight of 335.55 g/mol. Its IUPAC name is 1-[2-(sulfinoamino)ethoxy]pentadecane.

Molecular Properties

Compound Name1-[2-(sulfinoamino)ethoxy]pentadecane
PubChem CID57250596
Molecular FormulaC17H37NO3S
Molecular Weight335.55 g/mol
Exact Mass335.25
IUPAC Name1-[2-(sulfinoamino)ethoxy]pentadecane
SMILESCCCCCCCCCCCCCCCOCCNS(=O)O
InChIInChI=1S/C17H37NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21-17-15-18-22(19)20/h18H,2-17H2,1H3,(H,19,20)
InChIKeyAOARHSGXFWLUCM-UHFFFAOYSA-N
XLogP4.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.55
LogP ≤ 54.82
H-Bond Donors ≤ 52
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

1-[2-(sulfinatoamino)ethoxy]decane
CID 57270698
1-(sulfinoamino)tetradecane
CID 57045520
2-octadecoxy-N-(2-octadecoxyethyl)ethanamine;hydrochloride
CID 175378194
bis(2-octoxy-N-(2-octoxyethyl)ethanamine);oxalic acid
CID 171700708
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-dodecoxyhexadecane
CID 22256973
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-heptoxydocosane
CID 91692957

Frequently Asked Questions

What is the IUPAC name of 1-[2-(sulfinoamino)ethoxy]pentadecane?
The IUPAC name of 1-[2-(sulfinoamino)ethoxy]pentadecane (CID 57250596) is 1-[2-(sulfinoamino)ethoxy]pentadecane.
What is the SMILES notation for 1-[2-(sulfinoamino)ethoxy]pentadecane?
The canonical SMILES for 1-[2-(sulfinoamino)ethoxy]pentadecane is CCCCCCCCCCCCCCCOCCNS(=O)O.
What is the InChIKey of 1-[2-(sulfinoamino)ethoxy]pentadecane?
The InChIKey is AOARHSGXFWLUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21-17-15-18-22(19)20/h18H,2-17H2,1H3,(H,19,20).
What are the key properties of 1-[2-(sulfinoamino)ethoxy]pentadecane?
1-[2-(sulfinoamino)ethoxy]pentadecane has a molecular weight of 335.55 g/mol, XLogP of 4.82, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(sulfinoamino)ethoxy]pentadecane is sourced from PubChem (CID 57250596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).