N,N-bis(6-cyanohexyl)pentane-1-sulfonamide

C19H35N3O2S — CID 161351187

IUPACN,N-bis(6-cyanohexyl)pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)N(CCCCCCC#N)CCCCCCC#N
InChIInChI=1S/C19H35N3O2S/c1-2-3-14-19-25(23,24)22(17-12-8-4-6-10-15-20)18-13-9-5-7-11-16-21/h2-14,17-19H2,1H3
InChIKeyVNYGLWIIQNAMKQ-UHFFFAOYSA-N
MW369.58 g/mol
LogP4.76
Rot. Bonds17

About N,N-bis(6-cyanohexyl)pentane-1-sulfonamide

N,N-bis(6-cyanohexyl)pentane-1-sulfonamide (PubChem CID 161351187) has the molecular formula C19H35N3O2S and a molecular weight of 369.58 g/mol. Its IUPAC name is N,N-bis(6-cyanohexyl)pentane-1-sulfonamide.

Molecular Properties

Compound NameN,N-bis(6-cyanohexyl)pentane-1-sulfonamide
PubChem CID161351187
Molecular FormulaC19H35N3O2S
Molecular Weight369.58 g/mol
Exact Mass369.24
IUPAC NameN,N-bis(6-cyanohexyl)pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)N(CCCCCCC#N)CCCCCCC#N
InChIInChI=1S/C19H35N3O2S/c1-2-3-14-19-25(23,24)22(17-12-8-4-6-10-15-20)18-13-9-5-7-11-16-21/h2-14,17-19H2,1H3
InChIKeyVNYGLWIIQNAMKQ-UHFFFAOYSA-N
XLogP4.76
TPSA84.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.58
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(9-cyanononyl)nonane-1-sulfonamide
CID 161312679
N,N-bis(7-cyanoheptyl)heptane-1-sulfonamide
CID 172815352
N,N-dioctyldodecane-1-sulfonamide
CID 15510197
N-ethyl-N-octyloctane-1-sulfonamide
CID 176689597
1-N,1-N,1-N',1-N'-tetrakis(9-cyanononyl)hexane-1,1-disulfonamide
CID 172854065
N,N-dipentylethanesulfonamide
CID 3453334
2-N,2-N,3-N,3-N-tetrakis(8-cyanooctyl)butane-2,3-disulfonamide
CID 160746486
16-(dihexadecylamino)hexadecanenitrile
CID 139661963
N,N,N',N'-tetrahexylmethanedisulfonamide
CID 140586824
undecanenitrile
CID 16722
octadecanenitrile
CID 12532
N-(10-cyanodecyl)decane-1-sulfonamide
CID 152541431

Frequently Asked Questions

What is the IUPAC name of N,N-bis(6-cyanohexyl)pentane-1-sulfonamide?
The IUPAC name of N,N-bis(6-cyanohexyl)pentane-1-sulfonamide (CID 161351187) is N,N-bis(6-cyanohexyl)pentane-1-sulfonamide.
What is the SMILES notation for N,N-bis(6-cyanohexyl)pentane-1-sulfonamide?
The canonical SMILES for N,N-bis(6-cyanohexyl)pentane-1-sulfonamide is CCCCCS(=O)(=O)N(CCCCCCC#N)CCCCCCC#N.
What is the InChIKey of N,N-bis(6-cyanohexyl)pentane-1-sulfonamide?
The InChIKey is VNYGLWIIQNAMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2S/c1-2-3-14-19-25(23,24)22(17-12-8-4-6-10-15-20)18-13-9-5-7-11-16-21/h2-14,17-19H2,1H3.
What are the key properties of N,N-bis(6-cyanohexyl)pentane-1-sulfonamide?
N,N-bis(6-cyanohexyl)pentane-1-sulfonamide has a molecular weight of 369.58 g/mol, XLogP of 4.76, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(6-cyanohexyl)pentane-1-sulfonamide is sourced from PubChem (CID 161351187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).