(E)-N-propan-2-yl-4-(prop-1-en-2-ylsulfonylamino)pent-1-ene-1-sulfonamide

C11H22N2O4S2 — CID 130271926

IUPAC(E)-N-propan-2-yl-4-(prop-1-en-2-ylsulfonylamino)pent-1-ene-1-sulfonamide
SMILESC=C(C)S(=O)(=O)NC(C)C/C=C/S(=O)(=O)NC(C)C
InChIInChI=1S/C11H22N2O4S2/c1-9(2)12-18(14,15)8-6-7-11(5)13-19(16,17)10(3)4/h6,8-9,11-13H,3,7H2,1-2,4-5H3/b8-6+
InChIKeyAEKKGKKHBLWPKM-SOFGYWHQSA-N
MW310.44 g/mol
LogP1.06
Rot. Bonds8

About (E)-N-propan-2-yl-4-(prop-1-en-2-ylsulfonylamino)pent-1-ene-1-sulfonamide

(E)-N-propan-2-yl-4-(prop-1-en-2-ylsulfonylamino)pent-1-ene-1-sulfonamide (PubChem CID 130271926) has the molecular formula C11H22N2O4S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is (E)-N-propan-2-yl-4-(prop-1-en-2-ylsulfonylamino)pent-1-ene-1-sulfonamide.

Molecular Properties

Compound Name(E)-N-propan-2-yl-4-(prop-1-en-2-ylsulfonylamino)pent-1-ene-1-sulfonamide
PubChem CID130271926
Molecular FormulaC11H22N2O4S2
Molecular Weight310.44 g/mol
Exact Mass310.10
IUPAC Name(E)-N-propan-2-yl-4-(prop-1-en-2-ylsulfonylamino)pent-1-ene-1-sulfonamide
SMILESC=C(C)S(=O)(=O)NC(C)C/C=C/S(=O)(=O)NC(C)C
InChIInChI=1S/C11H22N2O4S2/c1-9(2)12-18(14,15)8-6-7-11(5)13-19(16,17)10(3)4/h6,8-9,11-13H,3,7H2,1-2,4-5H3/b8-6+
InChIKeyAEKKGKKHBLWPKM-SOFGYWHQSA-N
XLogP1.06
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-N-propan-2-yl-4-(prop-1-en-2-ylsulfonylamino)pent-1-ene-1-sulfonamide?
The IUPAC name of (E)-N-propan-2-yl-4-(prop-1-en-2-ylsulfonylamino)pent-1-ene-1-sulfonamide (CID 130271926) is (E)-N-propan-2-yl-4-(prop-1-en-2-ylsulfonylamino)pent-1-ene-1-sulfonamide.
What is the SMILES notation for (E)-N-propan-2-yl-4-(prop-1-en-2-ylsulfonylamino)pent-1-ene-1-sulfonamide?
The canonical SMILES for (E)-N-propan-2-yl-4-(prop-1-en-2-ylsulfonylamino)pent-1-ene-1-sulfonamide is C=C(C)S(=O)(=O)NC(C)C/C=C/S(=O)(=O)NC(C)C.
What is the InChIKey of (E)-N-propan-2-yl-4-(prop-1-en-2-ylsulfonylamino)pent-1-ene-1-sulfonamide?
The InChIKey is AEKKGKKHBLWPKM-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H22N2O4S2/c1-9(2)12-18(14,15)8-6-7-11(5)13-19(16,17)10(3)4/h6,8-9,11-13H,3,7H2,1-2,4-5H3/b8-6+.
What are the key properties of (E)-N-propan-2-yl-4-(prop-1-en-2-ylsulfonylamino)pent-1-ene-1-sulfonamide?
(E)-N-propan-2-yl-4-(prop-1-en-2-ylsulfonylamino)pent-1-ene-1-sulfonamide has a molecular weight of 310.44 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-propan-2-yl-4-(prop-1-en-2-ylsulfonylamino)pent-1-ene-1-sulfonamide is sourced from PubChem (CID 130271926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).