N-[(amino-hydroxy-oxo-λ6-sulfanylidene)methyl]pentadecane-1-sulfonamide

C16H36N2O4S2 — CID 57158975

IUPACN-[(amino-hydroxy-oxo-λ6-sulfanylidene)methyl]pentadecane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCS(=O)(=O)NC=S(N)(=O)O
InChIInChI=1S/C16H36N2O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(21,22)18-16-23(17,19)20/h16,18H,2-15H2,1H3,(H3,17,19,20)
InChIKeyIYJLDQSDRWWVCE-UHFFFAOYSA-N
MW384.61 g/mol
LogP3.39
Rot. Bonds16

About N-[(amino-hydroxy-oxo-λ6-sulfanylidene)methyl]pentadecane-1-sulfonamide

N-[(amino-hydroxy-oxo-λ6-sulfanylidene)methyl]pentadecane-1-sulfonamide (PubChem CID 57158975) has the molecular formula C16H36N2O4S2 and a molecular weight of 384.61 g/mol. Its IUPAC name is N-[(amino-hydroxy-oxo-λ6-sulfanylidene)methyl]pentadecane-1-sulfonamide.

Molecular Properties

Compound NameN-[(amino-hydroxy-oxo-λ6-sulfanylidene)methyl]pentadecane-1-sulfonamide
PubChem CID57158975
Molecular FormulaC16H36N2O4S2
Molecular Weight384.61 g/mol
Exact Mass384.21
IUPAC NameN-[(amino-hydroxy-oxo-λ6-sulfanylidene)methyl]pentadecane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCS(=O)(=O)NC=S(N)(=O)O
InChIInChI=1S/C16H36N2O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(21,22)18-16-23(17,19)20/h16,18H,2-15H2,1H3,(H3,17,19,20)
InChIKeyIYJLDQSDRWWVCE-UHFFFAOYSA-N
XLogP3.39
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.61
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sulfuric acid;tridecane
CID 91872702
undecane-1-sulfonohydrazide
CID 174980858
sodium;sulfuric acid;tetradecane
CID 170922474
decane-1-sulfonic acid
CID 157391186
pentacosane-1-sulfonamide
CID 149252389
N-pentylsulfonylundecanamide
CID 87719410
sodium;hydride;sulfuric acid;undecane
CID 172996516
N-nonylsulfonylacetamide
CID 87711188
azane;octadecane-1-sulfonic acid
CID 173437409
azanium octadecane-1-sulfonic acid
CID 20560144
bis(nonan-1-amine);sulfuric acid
CID 3055201
decane-1-sulfonic acid;silver
CID 72587294

Frequently Asked Questions

What is the IUPAC name of N-[(amino-hydroxy-oxo-λ6-sulfanylidene)methyl]pentadecane-1-sulfonamide?
The IUPAC name of N-[(amino-hydroxy-oxo-λ6-sulfanylidene)methyl]pentadecane-1-sulfonamide (CID 57158975) is N-[(amino-hydroxy-oxo-λ6-sulfanylidene)methyl]pentadecane-1-sulfonamide.
What is the SMILES notation for N-[(amino-hydroxy-oxo-λ6-sulfanylidene)methyl]pentadecane-1-sulfonamide?
The canonical SMILES for N-[(amino-hydroxy-oxo-λ6-sulfanylidene)methyl]pentadecane-1-sulfonamide is CCCCCCCCCCCCCCCS(=O)(=O)NC=S(N)(=O)O.
What is the InChIKey of N-[(amino-hydroxy-oxo-λ6-sulfanylidene)methyl]pentadecane-1-sulfonamide?
The InChIKey is IYJLDQSDRWWVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(21,22)18-16-23(17,19)20/h16,18H,2-15H2,1H3,(H3,17,19,20).
What are the key properties of N-[(amino-hydroxy-oxo-λ6-sulfanylidene)methyl]pentadecane-1-sulfonamide?
N-[(amino-hydroxy-oxo-λ6-sulfanylidene)methyl]pentadecane-1-sulfonamide has a molecular weight of 384.61 g/mol, XLogP of 3.39, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(amino-hydroxy-oxo-λ6-sulfanylidene)methyl]pentadecane-1-sulfonamide is sourced from PubChem (CID 57158975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).