(E)-10-(hexylsulfamoyl)dec-3-enoic acid

C16H31NO4S — CID 90060320

IUPAC(E)-10-(hexylsulfamoyl)dec-3-enoic acid
SMILESCCCCCCNS(=O)(=O)CCCCCC/C=C/CC(=O)O
InChIInChI=1S/C16H31NO4S/c1-2-3-4-11-14-17-22(20,21)15-12-9-7-5-6-8-10-13-16(18)19/h8,10,17H,2-7,9,11-15H2,1H3,(H,18,19)/b10-8+
InChIKeyXHUHZTCPQSJUJE-CSKARUKUSA-N
MW333.49 g/mol
LogP3.47
Rot. Bonds15

About (E)-10-(hexylsulfamoyl)dec-3-enoic acid

(E)-10-(hexylsulfamoyl)dec-3-enoic acid (PubChem CID 90060320) has the molecular formula C16H31NO4S and a molecular weight of 333.49 g/mol. Its IUPAC name is (E)-10-(hexylsulfamoyl)dec-3-enoic acid.

Molecular Properties

Compound Name(E)-10-(hexylsulfamoyl)dec-3-enoic acid
PubChem CID90060320
Molecular FormulaC16H31NO4S
Molecular Weight333.49 g/mol
Exact Mass333.20
IUPAC Name(E)-10-(hexylsulfamoyl)dec-3-enoic acid
SMILESCCCCCCNS(=O)(=O)CCCCCC/C=C/CC(=O)O
InChIInChI=1S/C16H31NO4S/c1-2-3-4-11-14-17-22(20,21)15-12-9-7-5-6-8-10-13-16(18)19/h8,10,17H,2-7,9,11-15H2,1H3,(H,18,19)/b10-8+
InChIKeyXHUHZTCPQSJUJE-CSKARUKUSA-N
XLogP3.47
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.49
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-(tetracosylsulfonylamino)acetic acid
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(3E,11E,14E)-icosa-3,11,14-trienoic acid
CID 23220132
N-decylbutane-1-sulfonamide
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N-octadecylpropane-1-sulfonamide
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2-(decylsulfonylamino)ethylcarbamic acid
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6-chloro-N-pentylhexane-1-sulfonamide
CID 57134163
N-(2-hydroxyethyl)decane-1-sulfonamide
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octadeca-3,5-dienoic acid
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pentadeca-3,5-dienoic acid
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Frequently Asked Questions

What is the IUPAC name of (E)-10-(hexylsulfamoyl)dec-3-enoic acid?
The IUPAC name of (E)-10-(hexylsulfamoyl)dec-3-enoic acid (CID 90060320) is (E)-10-(hexylsulfamoyl)dec-3-enoic acid.
What is the SMILES notation for (E)-10-(hexylsulfamoyl)dec-3-enoic acid?
The canonical SMILES for (E)-10-(hexylsulfamoyl)dec-3-enoic acid is CCCCCCNS(=O)(=O)CCCCCC/C=C/CC(=O)O.
What is the InChIKey of (E)-10-(hexylsulfamoyl)dec-3-enoic acid?
The InChIKey is XHUHZTCPQSJUJE-CSKARUKUSA-N. The full InChI is InChI=1S/C16H31NO4S/c1-2-3-4-11-14-17-22(20,21)15-12-9-7-5-6-8-10-13-16(18)19/h8,10,17H,2-7,9,11-15H2,1H3,(H,18,19)/b10-8+.
What are the key properties of (E)-10-(hexylsulfamoyl)dec-3-enoic acid?
(E)-10-(hexylsulfamoyl)dec-3-enoic acid has a molecular weight of 333.49 g/mol, XLogP of 3.47, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-10-(hexylsulfamoyl)dec-3-enoic acid is sourced from PubChem (CID 90060320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).