(E)-N,N-dimethyl-2-methylidene-5-[(E)-4-methylpent-2-en-2-yl]sulfonylpent-3-en-1-amine

C14H25NO2S — CID 130473740

IUPAC(E)-N,N-dimethyl-2-methylidene-5-[(E)-4-methylpent-2-en-2-yl]sulfonylpent-3-en-1-amine
SMILESC=C(/C=C/CS(=O)(=O)/C(C)=C/C(C)C)CN(C)C
InChIInChI=1S/C14H25NO2S/c1-12(2)10-14(4)18(16,17)9-7-8-13(3)11-15(5)6/h7-8,10,12H,3,9,11H2,1-2,4-6H3/b8-7+,14-10+
InChIKeyDTLUGYBXZJLOOI-ACLLVWJRSA-N
MW271.43 g/mol
LogP2.63
Rot. Bonds7

About (E)-N,N-dimethyl-2-methylidene-5-[(E)-4-methylpent-2-en-2-yl]sulfonylpent-3-en-1-amine

(E)-N,N-dimethyl-2-methylidene-5-[(E)-4-methylpent-2-en-2-yl]sulfonylpent-3-en-1-amine (PubChem CID 130473740) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is (E)-N,N-dimethyl-2-methylidene-5-[(E)-4-methylpent-2-en-2-yl]sulfonylpent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-2-methylidene-5-[(E)-4-methylpent-2-en-2-yl]sulfonylpent-3-en-1-amine
PubChem CID130473740
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name(E)-N,N-dimethyl-2-methylidene-5-[(E)-4-methylpent-2-en-2-yl]sulfonylpent-3-en-1-amine
SMILESC=C(/C=C/CS(=O)(=O)/C(C)=C/C(C)C)CN(C)C
InChIInChI=1S/C14H25NO2S/c1-12(2)10-14(4)18(16,17)9-7-8-13(3)11-15(5)6/h7-8,10,12H,3,9,11H2,1-2,4-6H3/b8-7+,14-10+
InChIKeyDTLUGYBXZJLOOI-ACLLVWJRSA-N
XLogP2.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-2-methylidene-5-[(E)-4-methylpent-2-en-2-yl]sulfonylpent-3-en-1-amine?
The IUPAC name of (E)-N,N-dimethyl-2-methylidene-5-[(E)-4-methylpent-2-en-2-yl]sulfonylpent-3-en-1-amine (CID 130473740) is (E)-N,N-dimethyl-2-methylidene-5-[(E)-4-methylpent-2-en-2-yl]sulfonylpent-3-en-1-amine.
What is the SMILES notation for (E)-N,N-dimethyl-2-methylidene-5-[(E)-4-methylpent-2-en-2-yl]sulfonylpent-3-en-1-amine?
The canonical SMILES for (E)-N,N-dimethyl-2-methylidene-5-[(E)-4-methylpent-2-en-2-yl]sulfonylpent-3-en-1-amine is C=C(/C=C/CS(=O)(=O)/C(C)=C/C(C)C)CN(C)C.
What is the InChIKey of (E)-N,N-dimethyl-2-methylidene-5-[(E)-4-methylpent-2-en-2-yl]sulfonylpent-3-en-1-amine?
The InChIKey is DTLUGYBXZJLOOI-ACLLVWJRSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-12(2)10-14(4)18(16,17)9-7-8-13(3)11-15(5)6/h7-8,10,12H,3,9,11H2,1-2,4-6H3/b8-7+,14-10+.
What are the key properties of (E)-N,N-dimethyl-2-methylidene-5-[(E)-4-methylpent-2-en-2-yl]sulfonylpent-3-en-1-amine?
(E)-N,N-dimethyl-2-methylidene-5-[(E)-4-methylpent-2-en-2-yl]sulfonylpent-3-en-1-amine has a molecular weight of 271.43 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-2-methylidene-5-[(E)-4-methylpent-2-en-2-yl]sulfonylpent-3-en-1-amine is sourced from PubChem (CID 130473740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).