N-(10-cyanodecyl)decane-1-sulfonamide

C21H42N2O2S — CID 152541431

IUPACN-(10-cyanodecyl)decane-1-sulfonamide
SMILESCCCCCCCCCCS(=O)(=O)NCCCCCCCCCCC#N
InChIInChI=1S/C21H42N2O2S/c1-2-3-4-5-6-12-15-18-21-26(24,25)23-20-17-14-11-9-7-8-10-13-16-19-22/h23H,2-18,20-21H2,1H3
InChIKeyYLPWXODHFXNMPN-UHFFFAOYSA-N
MW386.65 g/mol
LogP6.08
Rot. Bonds20

About N-(10-cyanodecyl)decane-1-sulfonamide

N-(10-cyanodecyl)decane-1-sulfonamide (PubChem CID 152541431) has the molecular formula C21H42N2O2S and a molecular weight of 386.65 g/mol. Its IUPAC name is N-(10-cyanodecyl)decane-1-sulfonamide.

Molecular Properties

Compound NameN-(10-cyanodecyl)decane-1-sulfonamide
PubChem CID152541431
Molecular FormulaC21H42N2O2S
Molecular Weight386.65 g/mol
Exact Mass386.30
IUPAC NameN-(10-cyanodecyl)decane-1-sulfonamide
SMILESCCCCCCCCCCS(=O)(=O)NCCCCCCCCCCC#N
InChIInChI=1S/C21H42N2O2S/c1-2-3-4-5-6-12-15-18-21-26(24,25)23-20-17-14-11-9-7-8-10-13-16-19-22/h23H,2-18,20-21H2,1H3
InChIKeyYLPWXODHFXNMPN-UHFFFAOYSA-N
XLogP6.08
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.65
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-decylbutane-1-sulfonamide
CID 19681427
N,N'-bis(9-cyanononyl)methanedisulfonamide
CID 161288415
N-octadecylpropane-1-sulfonamide
CID 88827291
1-N,1-N'-bis(10-cyanodecyl)decane-1,1-disulfonamide
CID 157421795
6-chloro-N-pentylhexane-1-sulfonamide
CID 57134163
N-[3-(ethylamino)propyl]nonane-1-sulfonamide
CID 59769773
N,N'-dihexadecylmethanedisulfonamide
CID 140586841
11-(octylsulfonylamino)undecanoic acid
CID 4605614
N-(2-hydroxyethyl)decane-1-sulfonamide
CID 171981376
octadecanenitrile
CID 12532
undecanenitrile
CID 16722
N-(5-bromopentyl)butane-1-sulfonamide
CID 107323070

Frequently Asked Questions

What is the IUPAC name of N-(10-cyanodecyl)decane-1-sulfonamide?
The IUPAC name of N-(10-cyanodecyl)decane-1-sulfonamide (CID 152541431) is N-(10-cyanodecyl)decane-1-sulfonamide.
What is the SMILES notation for N-(10-cyanodecyl)decane-1-sulfonamide?
The canonical SMILES for N-(10-cyanodecyl)decane-1-sulfonamide is CCCCCCCCCCS(=O)(=O)NCCCCCCCCCCC#N.
What is the InChIKey of N-(10-cyanodecyl)decane-1-sulfonamide?
The InChIKey is YLPWXODHFXNMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O2S/c1-2-3-4-5-6-12-15-18-21-26(24,25)23-20-17-14-11-9-7-8-10-13-16-19-22/h23H,2-18,20-21H2,1H3.
What are the key properties of N-(10-cyanodecyl)decane-1-sulfonamide?
N-(10-cyanodecyl)decane-1-sulfonamide has a molecular weight of 386.65 g/mol, XLogP of 6.08, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-cyanodecyl)decane-1-sulfonamide is sourced from PubChem (CID 152541431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).