2-(2-hexadec-1-enylsulfonylhydrazinyl)acetic acid

C18H36N2O4S — CID 57249983

IUPAC2-(2-hexadec-1-enylsulfonylhydrazinyl)acetic acid
SMILESCCCCCCCCCCCCCCC=CS(=O)(=O)NNCC(=O)O
InChIInChI=1S/C18H36N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(23,24)20-19-17-18(21)22/h15-16,19-20H,2-14,17H2,1H3,(H,21,22)
InChIKeyHQZOWHQVKFABNQ-UHFFFAOYSA-N
MW376.56 g/mol
LogP4.10
Rot. Bonds18

About 2-(2-hexadec-1-enylsulfonylhydrazinyl)acetic acid

2-(2-hexadec-1-enylsulfonylhydrazinyl)acetic acid (PubChem CID 57249983) has the molecular formula C18H36N2O4S and a molecular weight of 376.56 g/mol. Its IUPAC name is 2-(2-hexadec-1-enylsulfonylhydrazinyl)acetic acid.

Molecular Properties

Compound Name2-(2-hexadec-1-enylsulfonylhydrazinyl)acetic acid
PubChem CID57249983
Molecular FormulaC18H36N2O4S
Molecular Weight376.56 g/mol
Exact Mass376.24
IUPAC Name2-(2-hexadec-1-enylsulfonylhydrazinyl)acetic acid
SMILESCCCCCCCCCCCCCCC=CS(=O)(=O)NNCC(=O)O
InChIInChI=1S/C18H36N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(23,24)20-19-17-18(21)22/h15-16,19-20H,2-14,17H2,1H3,(H,21,22)
InChIKeyHQZOWHQVKFABNQ-UHFFFAOYSA-N
XLogP4.10
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.56
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

bis(undec-4-enoic acid);zinc
CID 172555666
sodium 2-[[(E)-icos-1-enyl]sulfonylamino]acetate
CID 101284736
potassium 2-[[(E)-dec-1-enyl]sulfonylamino]acetate
CID 101284764
sodium 2-[[(E)-octadec-1-enyl]sulfonylamino]acetate
CID 101284732
calcium bis(2-[[(E)-docos-1-enyl]sulfonylamino]acetate)
CID 101284810
heptadec-4-enoic acid
CID 56621766
(Z)-tetradec-4-enoic acid
CID 5312399
nonadec-4-enoic acid
CID 56637756
(E)-octadec-1-ene-1-sulfonic acid
CID 6437334
docos-4-enoic acid
CID 56621449
N'-(furan-2-ylmethyl)dodec-1-ene-1-sulfonohydrazide
CID 57320654
carbonic acid;(Z)-octadec-9-ene
CID 87599003

Frequently Asked Questions

What is the IUPAC name of 2-(2-hexadec-1-enylsulfonylhydrazinyl)acetic acid?
The IUPAC name of 2-(2-hexadec-1-enylsulfonylhydrazinyl)acetic acid (CID 57249983) is 2-(2-hexadec-1-enylsulfonylhydrazinyl)acetic acid.
What is the SMILES notation for 2-(2-hexadec-1-enylsulfonylhydrazinyl)acetic acid?
The canonical SMILES for 2-(2-hexadec-1-enylsulfonylhydrazinyl)acetic acid is CCCCCCCCCCCCCCC=CS(=O)(=O)NNCC(=O)O.
What is the InChIKey of 2-(2-hexadec-1-enylsulfonylhydrazinyl)acetic acid?
The InChIKey is HQZOWHQVKFABNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(23,24)20-19-17-18(21)22/h15-16,19-20H,2-14,17H2,1H3,(H,21,22).
What are the key properties of 2-(2-hexadec-1-enylsulfonylhydrazinyl)acetic acid?
2-(2-hexadec-1-enylsulfonylhydrazinyl)acetic acid has a molecular weight of 376.56 g/mol, XLogP of 4.10, 18 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hexadec-1-enylsulfonylhydrazinyl)acetic acid is sourced from PubChem (CID 57249983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).