1-cyano-N,N-bis(cyanomethyl)decane-1-sulfonamide

C15H24N4O2S — CID 162229198

IUPAC1-cyano-N,N-bis(cyanomethyl)decane-1-sulfonamide
SMILESCCCCCCCCCC(C#N)S(=O)(=O)N(CC#N)CC#N
InChIInChI=1S/C15H24N4O2S/c1-2-3-4-5-6-7-8-9-15(14-18)22(20,21)19(12-10-16)13-11-17/h15H,2-9,12-13H2,1H3
InChIKeyZVEMFMMSQOXLSO-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.70
Rot. Bonds12

About 1-cyano-N,N-bis(cyanomethyl)decane-1-sulfonamide

1-cyano-N,N-bis(cyanomethyl)decane-1-sulfonamide (PubChem CID 162229198) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-cyano-N,N-bis(cyanomethyl)decane-1-sulfonamide.

Molecular Properties

Compound Name1-cyano-N,N-bis(cyanomethyl)decane-1-sulfonamide
PubChem CID162229198
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name1-cyano-N,N-bis(cyanomethyl)decane-1-sulfonamide
SMILESCCCCCCCCCC(C#N)S(=O)(=O)N(CC#N)CC#N
InChIInChI=1S/C15H24N4O2S/c1-2-3-4-5-6-7-8-9-15(14-18)22(20,21)19(12-10-16)13-11-17/h15H,2-9,12-13H2,1H3
InChIKeyZVEMFMMSQOXLSO-UHFFFAOYSA-N
XLogP2.70
TPSA108.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-cyano-N,N-dioctylheptane-1-sulfonamide
CID 151178952
1-cyano-N,N-diethylbutane-1-sulfonamide
CID 151396131
1-N,1-N,1-N',1-N'-tetrakis(9-cyanononyl)hexane-1,1-disulfonamide
CID 172854065
2-octadecylicosanenitrile
CID 89491101
2-octyldodecanenitrile
CID 87721815
2-propylhexadecanenitrile
CID 54538320
N,N-bis(6-cyanohexyl)pentane-1-sulfonamide
CID 161351187
N,N-bis(9-cyanononyl)nonane-1-sulfonamide
CID 161312679
N-(cyanomethyl)-N-propan-2-yldecanamide
CID 65449531
N,N-bis(7-cyanoheptyl)heptane-1-sulfonamide
CID 172815352
3-hexylnonanenitrile
CID 174880695
6-hexyltridecanenitrile
CID 129015600

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N,N-bis(cyanomethyl)decane-1-sulfonamide?
The IUPAC name of 1-cyano-N,N-bis(cyanomethyl)decane-1-sulfonamide (CID 162229198) is 1-cyano-N,N-bis(cyanomethyl)decane-1-sulfonamide.
What is the SMILES notation for 1-cyano-N,N-bis(cyanomethyl)decane-1-sulfonamide?
The canonical SMILES for 1-cyano-N,N-bis(cyanomethyl)decane-1-sulfonamide is CCCCCCCCCC(C#N)S(=O)(=O)N(CC#N)CC#N.
What is the InChIKey of 1-cyano-N,N-bis(cyanomethyl)decane-1-sulfonamide?
The InChIKey is ZVEMFMMSQOXLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-2-3-4-5-6-7-8-9-15(14-18)22(20,21)19(12-10-16)13-11-17/h15H,2-9,12-13H2,1H3.
What are the key properties of 1-cyano-N,N-bis(cyanomethyl)decane-1-sulfonamide?
1-cyano-N,N-bis(cyanomethyl)decane-1-sulfonamide has a molecular weight of 324.45 g/mol, XLogP of 2.70, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N,N-bis(cyanomethyl)decane-1-sulfonamide is sourced from PubChem (CID 162229198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).