1-cyano-N,N-dipentylpropane-1-sulfonamide

C14H28N2O2S — CID 150225204

IUPAC1-cyano-N,N-dipentylpropane-1-sulfonamide
SMILESCCCCCN(CCCCC)S(=O)(=O)C(C#N)CC
InChIInChI=1S/C14H28N2O2S/c1-4-7-9-11-16(12-10-8-5-2)19(17,18)14(6-3)13-15/h14H,4-12H2,1-3H3
InChIKeyFUHVVWGMFPWPQE-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.30
Rot. Bonds11

About 1-cyano-N,N-dipentylpropane-1-sulfonamide

1-cyano-N,N-dipentylpropane-1-sulfonamide (PubChem CID 150225204) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-cyano-N,N-dipentylpropane-1-sulfonamide.

Molecular Properties

Compound Name1-cyano-N,N-dipentylpropane-1-sulfonamide
PubChem CID150225204
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name1-cyano-N,N-dipentylpropane-1-sulfonamide
SMILESCCCCCN(CCCCC)S(=O)(=O)C(C#N)CC
InChIInChI=1S/C14H28N2O2S/c1-4-7-9-11-16(12-10-8-5-2)19(17,18)14(6-3)13-15/h14H,4-12H2,1-3H3
InChIKeyFUHVVWGMFPWPQE-UHFFFAOYSA-N
XLogP3.30
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-cyano-N,N-dipentylpropane-1-sulfonamide?
The IUPAC name of 1-cyano-N,N-dipentylpropane-1-sulfonamide (CID 150225204) is 1-cyano-N,N-dipentylpropane-1-sulfonamide.
What is the SMILES notation for 1-cyano-N,N-dipentylpropane-1-sulfonamide?
The canonical SMILES for 1-cyano-N,N-dipentylpropane-1-sulfonamide is CCCCCN(CCCCC)S(=O)(=O)C(C#N)CC.
What is the InChIKey of 1-cyano-N,N-dipentylpropane-1-sulfonamide?
The InChIKey is FUHVVWGMFPWPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-4-7-9-11-16(12-10-8-5-2)19(17,18)14(6-3)13-15/h14H,4-12H2,1-3H3.
What are the key properties of 1-cyano-N,N-dipentylpropane-1-sulfonamide?
1-cyano-N,N-dipentylpropane-1-sulfonamide has a molecular weight of 288.46 g/mol, XLogP of 3.30, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N,N-dipentylpropane-1-sulfonamide is sourced from PubChem (CID 150225204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).