N'-octylsulfonylpropanehydrazide

C11H24N2O3S — CID 175512061

IUPACN'-octylsulfonylpropanehydrazide
SMILESCCCCCCCCS(=O)(=O)NNC(=O)CC
InChIInChI=1S/C11H24N2O3S/c1-3-5-6-7-8-9-10-17(15,16)13-12-11(14)4-2/h13H,3-10H2,1-2H3,(H,12,14)
InChIKeyMBUMDPPOTVJUIJ-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.71
Rot. Bonds10

About N'-octylsulfonylpropanehydrazide

N'-octylsulfonylpropanehydrazide (PubChem CID 175512061) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N'-octylsulfonylpropanehydrazide.

Molecular Properties

Compound NameN'-octylsulfonylpropanehydrazide
PubChem CID175512061
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN'-octylsulfonylpropanehydrazide
SMILESCCCCCCCCS(=O)(=O)NNC(=O)CC
InChIInChI=1S/C11H24N2O3S/c1-3-5-6-7-8-9-10-17(15,16)13-12-11(14)4-2/h13H,3-10H2,1-2H3,(H,12,14)
InChIKeyMBUMDPPOTVJUIJ-UHFFFAOYSA-N
XLogP1.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyldodecane-1-sulfonohydrazide
CID 174797545
N-pentylsulfonylundecanamide
CID 87719410
N-nonylsulfonylacetamide
CID 87711188
N'-propanoylundecanehydrazide
CID 174995270
N'-(2-hydroxyethyl)pentane-1-sulfonohydrazide
CID 88525248
N-butylsulfonylhexadecanamide
CID 58954596
2-(nonylsulfonylamino)acetic acid
CID 4052547
2-(tetracosylsulfonylamino)acetic acid
CID 101284702
undecane-1-sulfonohydrazide
CID 174980858
2-(octylsulfonylamino)-N-[10-[[2-(octylsulfonylamino)acetyl]amino]decyl]acetamide
CID 20789852
N'-butylsulfonyl-2-(4-methylphenyl)sulfonylacetohydrazide
CID 146673615
N-(4-oxobutylsulfonyl)hexadecanamide
CID 57454992

Frequently Asked Questions

What is the IUPAC name of N'-octylsulfonylpropanehydrazide?
The IUPAC name of N'-octylsulfonylpropanehydrazide (CID 175512061) is N'-octylsulfonylpropanehydrazide.
What is the SMILES notation for N'-octylsulfonylpropanehydrazide?
The canonical SMILES for N'-octylsulfonylpropanehydrazide is CCCCCCCCS(=O)(=O)NNC(=O)CC.
What is the InChIKey of N'-octylsulfonylpropanehydrazide?
The InChIKey is MBUMDPPOTVJUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-3-5-6-7-8-9-10-17(15,16)13-12-11(14)4-2/h13H,3-10H2,1-2H3,(H,12,14).
What are the key properties of N'-octylsulfonylpropanehydrazide?
N'-octylsulfonylpropanehydrazide has a molecular weight of 264.39 g/mol, XLogP of 1.71, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-octylsulfonylpropanehydrazide is sourced from PubChem (CID 175512061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).