(E)-4-(ethenylsulfonylamino)-N-methyl-N-propan-2-ylpent-1-ene-1-sulfonamide

C11H22N2O4S2 — CID 167202886

IUPAC(E)-4-(ethenylsulfonylamino)-N-methyl-N-propan-2-ylpent-1-ene-1-sulfonamide
SMILESC=CS(=O)(=O)NC(C)C/C=C/S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C11H22N2O4S2/c1-6-18(14,15)12-11(4)8-7-9-19(16,17)13(5)10(2)3/h6-7,9-12H,1,8H2,2-5H3/b9-7+
InChIKeyPNWLUBYGVDKBAD-VQHVLOKHSA-N
MW310.44 g/mol
LogP1.01
Rot. Bonds8

About (E)-4-(ethenylsulfonylamino)-N-methyl-N-propan-2-ylpent-1-ene-1-sulfonamide

(E)-4-(ethenylsulfonylamino)-N-methyl-N-propan-2-ylpent-1-ene-1-sulfonamide (PubChem CID 167202886) has the molecular formula C11H22N2O4S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is (E)-4-(ethenylsulfonylamino)-N-methyl-N-propan-2-ylpent-1-ene-1-sulfonamide.

Molecular Properties

Compound Name(E)-4-(ethenylsulfonylamino)-N-methyl-N-propan-2-ylpent-1-ene-1-sulfonamide
PubChem CID167202886
Molecular FormulaC11H22N2O4S2
Molecular Weight310.44 g/mol
Exact Mass310.10
IUPAC Name(E)-4-(ethenylsulfonylamino)-N-methyl-N-propan-2-ylpent-1-ene-1-sulfonamide
SMILESC=CS(=O)(=O)NC(C)C/C=C/S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C11H22N2O4S2/c1-6-18(14,15)12-11(4)8-7-9-19(16,17)13(5)10(2)3/h6-7,9-12H,1,8H2,2-5H3/b9-7+
InChIKeyPNWLUBYGVDKBAD-VQHVLOKHSA-N
XLogP1.01
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(ethenylsulfonylamino)-N-methyl-N-propan-2-ylpent-1-ene-1-sulfonamide?
The IUPAC name of (E)-4-(ethenylsulfonylamino)-N-methyl-N-propan-2-ylpent-1-ene-1-sulfonamide (CID 167202886) is (E)-4-(ethenylsulfonylamino)-N-methyl-N-propan-2-ylpent-1-ene-1-sulfonamide.
What is the SMILES notation for (E)-4-(ethenylsulfonylamino)-N-methyl-N-propan-2-ylpent-1-ene-1-sulfonamide?
The canonical SMILES for (E)-4-(ethenylsulfonylamino)-N-methyl-N-propan-2-ylpent-1-ene-1-sulfonamide is C=CS(=O)(=O)NC(C)C/C=C/S(=O)(=O)N(C)C(C)C.
What is the InChIKey of (E)-4-(ethenylsulfonylamino)-N-methyl-N-propan-2-ylpent-1-ene-1-sulfonamide?
The InChIKey is PNWLUBYGVDKBAD-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H22N2O4S2/c1-6-18(14,15)12-11(4)8-7-9-19(16,17)13(5)10(2)3/h6-7,9-12H,1,8H2,2-5H3/b9-7+.
What are the key properties of (E)-4-(ethenylsulfonylamino)-N-methyl-N-propan-2-ylpent-1-ene-1-sulfonamide?
(E)-4-(ethenylsulfonylamino)-N-methyl-N-propan-2-ylpent-1-ene-1-sulfonamide has a molecular weight of 310.44 g/mol, XLogP of 1.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(ethenylsulfonylamino)-N-methyl-N-propan-2-ylpent-1-ene-1-sulfonamide is sourced from PubChem (CID 167202886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).