(Z)-N-[3-[3-(3,3-dimethylpentylamino)propylamino]propyl]dec-5-ene-1-sulfonamide

C23H49N3O2S — CID 89248829

IUPAC(Z)-N-[3-[3-(3,3-dimethylpentylamino)propylamino]propyl]dec-5-ene-1-sulfonamide
SMILESCCCC/C=C\CCCCS(=O)(=O)NCCCNCCCNCCC(C)(C)CC
InChIInChI=1S/C23H49N3O2S/c1-5-7-8-9-10-11-12-13-22-29(27,28)26-20-15-19-24-17-14-18-25-21-16-23(3,4)6-2/h9-10,24-26H,5-8,11-22H2,1-4H3/b10-9-
InChIKeyJEEFOFYYPHZFLE-KTKRTIGZSA-N
MW431.73 g/mol
LogP4.61
Rot. Bonds21

About (Z)-N-[3-[3-(3,3-dimethylpentylamino)propylamino]propyl]dec-5-ene-1-sulfonamide

(Z)-N-[3-[3-(3,3-dimethylpentylamino)propylamino]propyl]dec-5-ene-1-sulfonamide (PubChem CID 89248829) has the molecular formula C23H49N3O2S and a molecular weight of 431.73 g/mol. Its IUPAC name is (Z)-N-[3-[3-(3,3-dimethylpentylamino)propylamino]propyl]dec-5-ene-1-sulfonamide.

Molecular Properties

Compound Name(Z)-N-[3-[3-(3,3-dimethylpentylamino)propylamino]propyl]dec-5-ene-1-sulfonamide
PubChem CID89248829
Molecular FormulaC23H49N3O2S
Molecular Weight431.73 g/mol
Exact Mass431.35
IUPAC Name(Z)-N-[3-[3-(3,3-dimethylpentylamino)propylamino]propyl]dec-5-ene-1-sulfonamide
SMILESCCCC/C=C\CCCCS(=O)(=O)NCCCNCCCNCCC(C)(C)CC
InChIInChI=1S/C23H49N3O2S/c1-5-7-8-9-10-11-12-13-22-29(27,28)26-20-15-19-24-17-14-18-25-21-16-23(3,4)6-2/h9-10,24-26H,5-8,11-22H2,1-4H3/b10-9-
InChIKeyJEEFOFYYPHZFLE-KTKRTIGZSA-N
XLogP4.61
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.73
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-[3-(3,3-dimethylpentylamino)propylamino]propyl]dec-5-ene-1-sulfonamide?
The IUPAC name of (Z)-N-[3-[3-(3,3-dimethylpentylamino)propylamino]propyl]dec-5-ene-1-sulfonamide (CID 89248829) is (Z)-N-[3-[3-(3,3-dimethylpentylamino)propylamino]propyl]dec-5-ene-1-sulfonamide.
What is the SMILES notation for (Z)-N-[3-[3-(3,3-dimethylpentylamino)propylamino]propyl]dec-5-ene-1-sulfonamide?
The canonical SMILES for (Z)-N-[3-[3-(3,3-dimethylpentylamino)propylamino]propyl]dec-5-ene-1-sulfonamide is CCCC/C=C\CCCCS(=O)(=O)NCCCNCCCNCCC(C)(C)CC.
What is the InChIKey of (Z)-N-[3-[3-(3,3-dimethylpentylamino)propylamino]propyl]dec-5-ene-1-sulfonamide?
The InChIKey is JEEFOFYYPHZFLE-KTKRTIGZSA-N. The full InChI is InChI=1S/C23H49N3O2S/c1-5-7-8-9-10-11-12-13-22-29(27,28)26-20-15-19-24-17-14-18-25-21-16-23(3,4)6-2/h9-10,24-26H,5-8,11-22H2,1-4H3/b10-9-.
What are the key properties of (Z)-N-[3-[3-(3,3-dimethylpentylamino)propylamino]propyl]dec-5-ene-1-sulfonamide?
(Z)-N-[3-[3-(3,3-dimethylpentylamino)propylamino]propyl]dec-5-ene-1-sulfonamide has a molecular weight of 431.73 g/mol, XLogP of 4.61, 21 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-[3-(3,3-dimethylpentylamino)propylamino]propyl]dec-5-ene-1-sulfonamide is sourced from PubChem (CID 89248829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).