(E)-5-(dipropylsulfamoylamino)pent-2-ene

C11H24N2O2S — CID 115628695

IUPAC(E)-5-(dipropylsulfamoylamino)pent-2-ene
SMILESC/C=C/CCNS(=O)(=O)N(CCC)CCC
InChIInChI=1S/C11H24N2O2S/c1-4-7-8-9-12-16(14,15)13(10-5-2)11-6-3/h4,7,12H,5-6,8-11H2,1-3H3/b7-4+
InChIKeyGWYVRLCPLOKTPR-QPJJXVBHSA-N
MW248.39 g/mol
LogP1.91
Rot. Bonds9

About (E)-5-(dipropylsulfamoylamino)pent-2-ene

(E)-5-(dipropylsulfamoylamino)pent-2-ene (PubChem CID 115628695) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is (E)-5-(dipropylsulfamoylamino)pent-2-ene.

Molecular Properties

Compound Name(E)-5-(dipropylsulfamoylamino)pent-2-ene
PubChem CID115628695
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name(E)-5-(dipropylsulfamoylamino)pent-2-ene
SMILESC/C=C/CCNS(=O)(=O)N(CCC)CCC
InChIInChI=1S/C11H24N2O2S/c1-4-7-8-9-12-16(14,15)13(10-5-2)11-6-3/h4,7,12H,5-6,8-11H2,1-3H3/b7-4+
InChIKeyGWYVRLCPLOKTPR-QPJJXVBHSA-N
XLogP1.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (E)-5-(dipropylsulfamoylamino)pent-2-ene?
The IUPAC name of (E)-5-(dipropylsulfamoylamino)pent-2-ene (CID 115628695) is (E)-5-(dipropylsulfamoylamino)pent-2-ene.
What is the SMILES notation for (E)-5-(dipropylsulfamoylamino)pent-2-ene?
The canonical SMILES for (E)-5-(dipropylsulfamoylamino)pent-2-ene is C/C=C/CCNS(=O)(=O)N(CCC)CCC.
What is the InChIKey of (E)-5-(dipropylsulfamoylamino)pent-2-ene?
The InChIKey is GWYVRLCPLOKTPR-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-4-7-8-9-12-16(14,15)13(10-5-2)11-6-3/h4,7,12H,5-6,8-11H2,1-3H3/b7-4+.
What are the key properties of (E)-5-(dipropylsulfamoylamino)pent-2-ene?
(E)-5-(dipropylsulfamoylamino)pent-2-ene has a molecular weight of 248.39 g/mol, XLogP of 1.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(dipropylsulfamoylamino)pent-2-ene is sourced from PubChem (CID 115628695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).