dimethylamino nonadecane-1-sulfonate

C21H45NO3S — CID 57284762

IUPACdimethylamino nonadecane-1-sulfonate
SMILESCCCCCCCCCCCCCCCCCCCS(=O)(=O)ON(C)C
InChIInChI=1S/C21H45NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(23,24)25-22(2)3/h4-21H2,1-3H3
InChIKeyPZZWGTHEDLDEAP-UHFFFAOYSA-N
MW391.66 g/mol
LogP6.46
Rot. Bonds20

About dimethylamino nonadecane-1-sulfonate

dimethylamino nonadecane-1-sulfonate (PubChem CID 57284762) has the molecular formula C21H45NO3S and a molecular weight of 391.66 g/mol. Its IUPAC name is dimethylamino nonadecane-1-sulfonate.

Molecular Properties

Compound Namedimethylamino nonadecane-1-sulfonate
PubChem CID57284762
Molecular FormulaC21H45NO3S
Molecular Weight391.66 g/mol
Exact Mass391.31
IUPAC Namedimethylamino nonadecane-1-sulfonate
SMILESCCCCCCCCCCCCCCCCCCCS(=O)(=O)ON(C)C
InChIInChI=1S/C21H45NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(23,24)25-22(2)3/h4-21H2,1-3H3
InChIKeyPZZWGTHEDLDEAP-UHFFFAOYSA-N
XLogP6.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.66
LogP ≤ 56.46
H-Bond Donors ≤ 50
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'}

Analyze dimethylamino nonadecane-1-sulfonate 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

N-butylsulfonyl-N-methylhexane-1-sulfonamide
CID 167138373
ethyl dodecane-1-sulfonate
CID 91372072
ethyl decane-1-sulfonate
CID 22672297
phosphanyl tetradecane-1-sulfonate
CID 139601424
ethyl nonane-1-sulfonate
CID 152681372
lithium octane-1-sulfonoperoxoate
CID 158949826
tridecyl tridecane-1-sulfonate
CID 123645713
azane;ethyl hexane-1-sulfonate
CID 174617270
fluoro octane-1-sulfonate;zirconium
CID 175196316
hexadecyl octane-1-sulfonate
CID 172859291
3-(dimethylamino)propyl decane-1-sulfonate
CID 175505827
N,N-dimethylheptane-1-sulfonamide
CID 118391256

Frequently Asked Questions

What is the IUPAC name of dimethylamino nonadecane-1-sulfonate?
The IUPAC name of dimethylamino nonadecane-1-sulfonate (CID 57284762) is dimethylamino nonadecane-1-sulfonate.
What is the SMILES notation for dimethylamino nonadecane-1-sulfonate?
The canonical SMILES for dimethylamino nonadecane-1-sulfonate is CCCCCCCCCCCCCCCCCCCS(=O)(=O)ON(C)C.
What is the InChIKey of dimethylamino nonadecane-1-sulfonate?
The InChIKey is PZZWGTHEDLDEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(23,24)25-22(2)3/h4-21H2,1-3H3.
What are the key properties of dimethylamino nonadecane-1-sulfonate?
dimethylamino nonadecane-1-sulfonate has a molecular weight of 391.66 g/mol, XLogP of 6.46, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino nonadecane-1-sulfonate is sourced from PubChem (CID 57284762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).