dodeca-3,6-dienylsulfamic acid

C12H23NO3S — CID 74317793

IUPACdodeca-3,6-dienylsulfamic acid
SMILESCCCCCC=CCC=CCCNS(=O)(=O)O
InChIInChI=1S/C12H23NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(14,15)16/h6-7,9-10,13H,2-5,8,11-12H2,1H3,(H,14,15,16)
InChIKeyDLEYFILNNFMARG-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.85
Rot. Bonds10

About dodeca-3,6-dienylsulfamic acid

dodeca-3,6-dienylsulfamic acid (PubChem CID 74317793) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is dodeca-3,6-dienylsulfamic acid.

Molecular Properties

Compound Namedodeca-3,6-dienylsulfamic acid
PubChem CID74317793
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Namedodeca-3,6-dienylsulfamic acid
SMILESCCCCCC=CCC=CCCNS(=O)(=O)O
InChIInChI=1S/C12H23NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(14,15)16/h6-7,9-10,13H,2-5,8,11-12H2,1H3,(H,14,15,16)
InChIKeyDLEYFILNNFMARG-UHFFFAOYSA-N
XLogP2.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze dodeca-3,6-dienylsulfamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(12Z,15Z)-N-[(11Z,14Z)-icosa-11,14-dienyl]henicosa-12,15-dien-1-amine
CID 129018541
2-[[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]amino]ethanesulfonic acid
CID 171117146
(5E,8E)-tetradeca-5,8-diene
CID 13430684
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
heptadeca-5,8,11-triene
CID 54101473
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
N-methyloctadeca-9,12-dien-1-amine
CID 72503072
2-(octadeca-9,12-dienylamino)acetic acid
CID 54420712
(9Z,12Z)-N-methyloctadeca-9,12-dien-1-amine;hydrochloride
CID 175800296
3-[[(9Z,12Z)-octadeca-9,12-dienyl]amino]propan-1-ol
CID 134205305
2-fluoro-N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]acetamide
CID 87644126

Frequently Asked Questions

What is the IUPAC name of dodeca-3,6-dienylsulfamic acid?
The IUPAC name of dodeca-3,6-dienylsulfamic acid (CID 74317793) is dodeca-3,6-dienylsulfamic acid.
What is the SMILES notation for dodeca-3,6-dienylsulfamic acid?
The canonical SMILES for dodeca-3,6-dienylsulfamic acid is CCCCCC=CCC=CCCNS(=O)(=O)O.
What is the InChIKey of dodeca-3,6-dienylsulfamic acid?
The InChIKey is DLEYFILNNFMARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(14,15)16/h6-7,9-10,13H,2-5,8,11-12H2,1H3,(H,14,15,16).
What are the key properties of dodeca-3,6-dienylsulfamic acid?
dodeca-3,6-dienylsulfamic acid has a molecular weight of 261.39 g/mol, XLogP of 2.85, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodeca-3,6-dienylsulfamic acid is sourced from PubChem (CID 74317793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).