1-(methoxysulfinylamino)-13-methylpentadecane

C17H37NO2S — CID 20669578

IUPAC1-(methoxysulfinylamino)-13-methylpentadecane
SMILESCCC(C)CCCCCCCCCCCCNS(=O)OC
InChIInChI=1S/C17H37NO2S/c1-4-17(2)15-13-11-9-7-5-6-8-10-12-14-16-18-21(19)20-3/h17-18H,4-16H2,1-3H3
InChIKeyRJLWDEUOJODYKA-UHFFFAOYSA-N
MW319.56 g/mol
LogP5.14
Rot. Bonds16

About 1-(methoxysulfinylamino)-13-methylpentadecane

1-(methoxysulfinylamino)-13-methylpentadecane (PubChem CID 20669578) has the molecular formula C17H37NO2S and a molecular weight of 319.56 g/mol. Its IUPAC name is 1-(methoxysulfinylamino)-13-methylpentadecane.

Molecular Properties

Compound Name1-(methoxysulfinylamino)-13-methylpentadecane
PubChem CID20669578
Molecular FormulaC17H37NO2S
Molecular Weight319.56 g/mol
Exact Mass319.25
IUPAC Name1-(methoxysulfinylamino)-13-methylpentadecane
SMILESCCC(C)CCCCCCCCCCCCNS(=O)OC
InChIInChI=1S/C17H37NO2S/c1-4-17(2)15-13-11-9-7-5-6-8-10-12-14-16-18-21(19)20-3/h17-18H,4-16H2,1-3H3
InChIKeyRJLWDEUOJODYKA-UHFFFAOYSA-N
XLogP5.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.56
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(9-Methyldecyl)sulfamate
CID 24796784
(8-Methylnonyl)sulfamate
CID 24796786
(7-Methyloctyl)sulfamate
CID 24796788
3-Dimethyl dodecylamino propane sulphonate
CID 129704043
6-Methyl-1-(sulfinatoamino)heptane
CID 22376959
3-[(Sulfinatoamino)methyl]heptane
CID 57135935
4-[(Sulfinatoamino)methyl]nonane
CID 57421731
3,7-Dimethyl-1-(sulfinatoamino)octane
CID 57421747
7-methyl-N-(2-methylpropylsulfamoyl)tetradecan-7-amine
CID 139445525
Ethyl sulfate;14-methylpentadecylazanium
CID 139977757
3-Hexadecylnonadecylazanium;methyl sulfate
CID 140412740
7-[2-(Sulfamoylamino)ethyl]tetradecane
CID 155137821

Frequently Asked Questions

What is the IUPAC name of 1-(methoxysulfinylamino)-13-methylpentadecane?
The IUPAC name of 1-(methoxysulfinylamino)-13-methylpentadecane (CID 20669578) is 1-(methoxysulfinylamino)-13-methylpentadecane.
What is the SMILES notation for 1-(methoxysulfinylamino)-13-methylpentadecane?
The canonical SMILES for 1-(methoxysulfinylamino)-13-methylpentadecane is CCC(C)CCCCCCCCCCCCNS(=O)OC.
What is the InChIKey of 1-(methoxysulfinylamino)-13-methylpentadecane?
The InChIKey is RJLWDEUOJODYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO2S/c1-4-17(2)15-13-11-9-7-5-6-8-10-12-14-16-18-21(19)20-3/h17-18H,4-16H2,1-3H3.
What are the key properties of 1-(methoxysulfinylamino)-13-methylpentadecane?
1-(methoxysulfinylamino)-13-methylpentadecane has a molecular weight of 319.56 g/mol, XLogP of 5.14, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxysulfinylamino)-13-methylpentadecane is sourced from PubChem (CID 20669578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).