1-[formyl(sulfino)amino]dodecane

C13H27NO3S — CID 57293711

IUPAC1-[formyl(sulfino)amino]dodecane
SMILESCCCCCCCCCCCCN(C=O)S(=O)O
InChIInChI=1S/C13H27NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-14(13-15)18(16)17/h13H,2-12H2,1H3,(H,16,17)
InChIKeyJVISOAAPMCIVQB-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.50
Rot. Bonds13

About 1-[formyl(sulfino)amino]dodecane

1-[formyl(sulfino)amino]dodecane (PubChem CID 57293711) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-[formyl(sulfino)amino]dodecane.

Molecular Properties

Compound Name1-[formyl(sulfino)amino]dodecane
PubChem CID57293711
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC Name1-[formyl(sulfino)amino]dodecane
SMILESCCCCCCCCCCCCN(C=O)S(=O)O
InChIInChI=1S/C13H27NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-14(13-15)18(16)17/h13H,2-12H2,1H3,(H,16,17)
InChIKeyJVISOAAPMCIVQB-UHFFFAOYSA-N
XLogP3.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[methyl(sulfino)amino]hexadecane
CID 57239401
N-decyl-N-dodecylformamide
CID 174803125
N-hexyl-N-octylformamide
CID 169189817
N,N-dimethylformamide;dodecane
CID 174900991
N-butyl-N-octadecylformamide
CID 54030417
N-methyl-N-tetradecylformamide
CID 10422507
N-ethyl-N-hexylformamide
CID 54565973
N-methyl-N-pentylformamide
CID 22754748
[dodecyl(sulfino)amino]benzene
CID 57109853
pentadecane-1-sulfinic acid
CID 20739365
dec-2-ene-1-sulfinic acid
CID 175496149
(Z)-octadec-9-ene-1-sulfinic acid
CID 162512733

Frequently Asked Questions

What is the IUPAC name of 1-[formyl(sulfino)amino]dodecane?
The IUPAC name of 1-[formyl(sulfino)amino]dodecane (CID 57293711) is 1-[formyl(sulfino)amino]dodecane.
What is the SMILES notation for 1-[formyl(sulfino)amino]dodecane?
The canonical SMILES for 1-[formyl(sulfino)amino]dodecane is CCCCCCCCCCCCN(C=O)S(=O)O.
What is the InChIKey of 1-[formyl(sulfino)amino]dodecane?
The InChIKey is JVISOAAPMCIVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-14(13-15)18(16)17/h13H,2-12H2,1H3,(H,16,17).
What are the key properties of 1-[formyl(sulfino)amino]dodecane?
1-[formyl(sulfino)amino]dodecane has a molecular weight of 277.43 g/mol, XLogP of 3.50, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[formyl(sulfino)amino]dodecane is sourced from PubChem (CID 57293711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).