4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholine-3-carboxamide

C9H14N4O4S — CID 83096595

IUPAC4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholine-3-carboxamide
SMILESCc1ncc(S(=O)(=O)N2CCOCC2C(N)=O)[nH]1
InChIInChI=1S/C9H14N4O4S/c1-6-11-4-8(12-6)18(15,16)13-2-3-17-5-7(13)9(10)14/h4,7H,2-3,5H2,1H3,(H2,10,14)(H,11,12)
InChIKeyHBBCJLIUTQKIBG-UHFFFAOYSA-N
MW274.30 g/mol
LogP-1.41
Rot. Bonds3

About 4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholine-3-carboxamide

4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholine-3-carboxamide (PubChem CID 83096595) has the molecular formula C9H14N4O4S and a molecular weight of 274.30 g/mol. Its IUPAC name is 4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholine-3-carboxamide
PubChem CID83096595
Molecular FormulaC9H14N4O4S
Molecular Weight274.30 g/mol
Exact Mass274.07
IUPAC Name4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholine-3-carboxamide
SMILESCc1ncc(S(=O)(=O)N2CCOCC2C(N)=O)[nH]1
InChIInChI=1S/C9H14N4O4S/c1-6-11-4-8(12-6)18(15,16)13-2-3-17-5-7(13)9(10)14/h4,7H,2-3,5H2,1H3,(H2,10,14)(H,11,12)
InChIKeyHBBCJLIUTQKIBG-UHFFFAOYSA-N
XLogP-1.41
TPSA118.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholine-3-carboxamide?
The IUPAC name of 4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholine-3-carboxamide (CID 83096595) is 4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholine-3-carboxamide is Cc1ncc(S(=O)(=O)N2CCOCC2C(N)=O)[nH]1.
What is the InChIKey of 4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholine-3-carboxamide?
The InChIKey is HBBCJLIUTQKIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4S/c1-6-11-4-8(12-6)18(15,16)13-2-3-17-5-7(13)9(10)14/h4,7H,2-3,5H2,1H3,(H2,10,14)(H,11,12).
What are the key properties of 4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholine-3-carboxamide?
4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholine-3-carboxamide has a molecular weight of 274.30 g/mol, XLogP of -1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholine-3-carboxamide is sourced from PubChem (CID 83096595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).