1-N,1-N'-bis(10-cyanodecyl)decane-1,1-disulfonamide

C32H62N4O4S2 — CID 157421795

IUPAC1-N,1-N'-bis(10-cyanodecyl)decane-1,1-disulfonamide
SMILESCCCCCCCCCC(S(=O)(=O)NCCCCCCCCCCC#N)S(=O)(=O)NCCCCCCCCCCC#N
InChIInChI=1S/C32H62N4O4S2/c1-2-3-4-5-12-17-22-27-32(41(37,38)35-30-25-20-15-10-6-8-13-18-23-28-33)42(39,40)36-31-26-21-16-11-7-9-14-19-24-29-34/h32,35-36H,2-27,30-31H2,1H3
InChIKeyBPMMTSSLENATBL-UHFFFAOYSA-N
MW631.01 g/mol
LogP8.36
Rot. Bonds32

About 1-N,1-N'-bis(10-cyanodecyl)decane-1,1-disulfonamide

1-N,1-N'-bis(10-cyanodecyl)decane-1,1-disulfonamide (PubChem CID 157421795) has the molecular formula C32H62N4O4S2 and a molecular weight of 631.01 g/mol. Its IUPAC name is 1-N,1-N'-bis(10-cyanodecyl)decane-1,1-disulfonamide.

Molecular Properties

Compound Name1-N,1-N'-bis(10-cyanodecyl)decane-1,1-disulfonamide
PubChem CID157421795
Molecular FormulaC32H62N4O4S2
Molecular Weight631.01 g/mol
Exact Mass630.42
IUPAC Name1-N,1-N'-bis(10-cyanodecyl)decane-1,1-disulfonamide
SMILESCCCCCCCCCC(S(=O)(=O)NCCCCCCCCCCC#N)S(=O)(=O)NCCCCCCCCCCC#N
InChIInChI=1S/C32H62N4O4S2/c1-2-3-4-5-12-17-22-27-32(41(37,38)35-30-25-20-15-10-6-8-13-18-23-28-33)42(39,40)36-31-26-21-16-11-7-9-14-19-24-29-34/h32,35-36H,2-27,30-31H2,1H3
InChIKeyBPMMTSSLENATBL-UHFFFAOYSA-N
XLogP8.36
TPSA139.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds32
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.01
LogP ≤ 58.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(10-cyanodecyl)decane-1-sulfonamide
CID 152541431
1-N,1-N,1-N',1-N'-tetrakis(9-cyanononyl)hexane-1,1-disulfonamide
CID 172854065
octadecanenitrile
CID 12532
undecanenitrile
CID 16722
N,N'-bis(9-cyanononyl)methanedisulfonamide
CID 161288415
1-N,1-N',1-N",2-N-tetrakis(10-cyanodecyl)propane-1,1,1,2-tetrasulfonamide
CID 157401334
6-hexyltridecanenitrile
CID 129015600
5-(ethylsulfamoylamino)pentanenitrile
CID 115638449
4-(octylamino)butanenitrile
CID 78914352
21-methylhentriacontanenitrile
CID 527382
21,25-dimethylhentriacontanenitrile
CID 527376
1-cyano-4-(sulfamoylamino)butane
CID 112689559

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis(10-cyanodecyl)decane-1,1-disulfonamide?
The IUPAC name of 1-N,1-N'-bis(10-cyanodecyl)decane-1,1-disulfonamide (CID 157421795) is 1-N,1-N'-bis(10-cyanodecyl)decane-1,1-disulfonamide.
What is the SMILES notation for 1-N,1-N'-bis(10-cyanodecyl)decane-1,1-disulfonamide?
The canonical SMILES for 1-N,1-N'-bis(10-cyanodecyl)decane-1,1-disulfonamide is CCCCCCCCCC(S(=O)(=O)NCCCCCCCCCCC#N)S(=O)(=O)NCCCCCCCCCCC#N.
What is the InChIKey of 1-N,1-N'-bis(10-cyanodecyl)decane-1,1-disulfonamide?
The InChIKey is BPMMTSSLENATBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H62N4O4S2/c1-2-3-4-5-12-17-22-27-32(41(37,38)35-30-25-20-15-10-6-8-13-18-23-28-33)42(39,40)36-31-26-21-16-11-7-9-14-19-24-29-34/h32,35-36H,2-27,30-31H2,1H3.
What are the key properties of 1-N,1-N'-bis(10-cyanodecyl)decane-1,1-disulfonamide?
1-N,1-N'-bis(10-cyanodecyl)decane-1,1-disulfonamide has a molecular weight of 631.01 g/mol, XLogP of 8.36, 32 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis(10-cyanodecyl)decane-1,1-disulfonamide is sourced from PubChem (CID 157421795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).