N,N'-bis(11-methyldodecyl)methanedisulfonamide

C27H58N2O4S2 — CID 140586823

IUPACN,N'-bis(11-methyldodecyl)methanedisulfonamide
SMILESCC(C)CCCCCCCCCCNS(=O)(=O)CS(=O)(=O)NCCCCCCCCCCC(C)C
InChIInChI=1S/C27H58N2O4S2/c1-26(2)21-17-13-9-5-7-11-15-19-23-28-34(30,31)25-35(32,33)29-24-20-16-12-8-6-10-14-18-22-27(3)4/h26-29H,5-25H2,1-4H3
InChIKeyNUCKNJYHFAHFTP-UHFFFAOYSA-N
MW538.91 g/mol
LogP7.12
Rot. Bonds26

About N,N'-bis(11-methyldodecyl)methanedisulfonamide

N,N'-bis(11-methyldodecyl)methanedisulfonamide (PubChem CID 140586823) has the molecular formula C27H58N2O4S2 and a molecular weight of 538.91 g/mol. Its IUPAC name is N,N'-bis(11-methyldodecyl)methanedisulfonamide.

Molecular Properties

Compound NameN,N'-bis(11-methyldodecyl)methanedisulfonamide
PubChem CID140586823
Molecular FormulaC27H58N2O4S2
Molecular Weight538.91 g/mol
Exact Mass538.38
IUPAC NameN,N'-bis(11-methyldodecyl)methanedisulfonamide
SMILESCC(C)CCCCCCCCCCNS(=O)(=O)CS(=O)(=O)NCCCCCCCCCCC(C)C
InChIInChI=1S/C27H58N2O4S2/c1-26(2)21-17-13-9-5-7-11-15-19-23-28-34(30,31)25-35(32,33)29-24-20-16-12-8-6-10-14-18-22-27(3)4/h26-29H,5-25H2,1-4H3
InChIKeyNUCKNJYHFAHFTP-UHFFFAOYSA-N
XLogP7.12
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.91
LogP ≤ 57.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(11-methyldodecyl)methanedisulfonamide?
The IUPAC name of N,N'-bis(11-methyldodecyl)methanedisulfonamide (CID 140586823) is N,N'-bis(11-methyldodecyl)methanedisulfonamide.
What is the SMILES notation for N,N'-bis(11-methyldodecyl)methanedisulfonamide?
The canonical SMILES for N,N'-bis(11-methyldodecyl)methanedisulfonamide is CC(C)CCCCCCCCCCNS(=O)(=O)CS(=O)(=O)NCCCCCCCCCCC(C)C.
What is the InChIKey of N,N'-bis(11-methyldodecyl)methanedisulfonamide?
The InChIKey is NUCKNJYHFAHFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H58N2O4S2/c1-26(2)21-17-13-9-5-7-11-15-19-23-28-34(30,31)25-35(32,33)29-24-20-16-12-8-6-10-14-18-22-27(3)4/h26-29H,5-25H2,1-4H3.
What are the key properties of N,N'-bis(11-methyldodecyl)methanedisulfonamide?
N,N'-bis(11-methyldodecyl)methanedisulfonamide has a molecular weight of 538.91 g/mol, XLogP of 7.12, 26 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(11-methyldodecyl)methanedisulfonamide is sourced from PubChem (CID 140586823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).