N,N-diethyl-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-sulfonamide

C12H22N4O3S — CID 110105054

IUPACN,N-diethyl-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCOC(c2ncc(C)[nH]2)C1
InChIInChI=1S/C12H22N4O3S/c1-4-15(5-2)20(17,18)16-6-7-19-11(9-16)12-13-8-10(3)14-12/h8,11H,4-7,9H2,1-3H3,(H,13,14)
InChIKeyJCOGZLABYJGEMO-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.68
Rot. Bonds5

About N,N-diethyl-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-sulfonamide

N,N-diethyl-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-sulfonamide (PubChem CID 110105054) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is N,N-diethyl-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-sulfonamide
PubChem CID110105054
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC NameN,N-diethyl-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCOC(c2ncc(C)[nH]2)C1
InChIInChI=1S/C12H22N4O3S/c1-4-15(5-2)20(17,18)16-6-7-19-11(9-16)12-13-8-10(3)14-12/h8,11H,4-7,9H2,1-3H3,(H,13,14)
InChIKeyJCOGZLABYJGEMO-UHFFFAOYSA-N
XLogP0.68
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-sulfonamide?
The IUPAC name of N,N-diethyl-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-sulfonamide (CID 110105054) is N,N-diethyl-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-sulfonamide.
What is the SMILES notation for N,N-diethyl-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-sulfonamide?
The canonical SMILES for N,N-diethyl-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-sulfonamide is CCN(CC)S(=O)(=O)N1CCOC(c2ncc(C)[nH]2)C1.
What is the InChIKey of N,N-diethyl-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-sulfonamide?
The InChIKey is JCOGZLABYJGEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-4-15(5-2)20(17,18)16-6-7-19-11(9-16)12-13-8-10(3)14-12/h8,11H,4-7,9H2,1-3H3,(H,13,14).
What are the key properties of N,N-diethyl-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-sulfonamide?
N,N-diethyl-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-sulfonamide is sourced from PubChem (CID 110105054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).