1-methyl-5-(morpholine-4-carbonyl)pyrrole-3-sulfonamide

C10H15N3O4S — CID 33400694

IUPAC1-methyl-5-(morpholine-4-carbonyl)pyrrole-3-sulfonamide
SMILESCn1cc(S(N)(=O)=O)cc1C(=O)N1CCOCC1
InChIInChI=1S/C10H15N3O4S/c1-12-7-8(18(11,15)16)6-9(12)10(14)13-2-4-17-5-3-13/h6-7H,2-5H2,1H3,(H2,11,15,16)
InChIKeyGHVCRHNXGDINCJ-UHFFFAOYSA-N
MW273.31 g/mol
LogP-0.86
Rot. Bonds2

About 1-methyl-5-(morpholine-4-carbonyl)pyrrole-3-sulfonamide

1-methyl-5-(morpholine-4-carbonyl)pyrrole-3-sulfonamide (PubChem CID 33400694) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-methyl-5-(morpholine-4-carbonyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-methyl-5-(morpholine-4-carbonyl)pyrrole-3-sulfonamide
PubChem CID33400694
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name1-methyl-5-(morpholine-4-carbonyl)pyrrole-3-sulfonamide
SMILESCn1cc(S(N)(=O)=O)cc1C(=O)N1CCOCC1
InChIInChI=1S/C10H15N3O4S/c1-12-7-8(18(11,15)16)6-9(12)10(14)13-2-4-17-5-3-13/h6-7H,2-5H2,1H3,(H2,11,15,16)
InChIKeyGHVCRHNXGDINCJ-UHFFFAOYSA-N
XLogP-0.86
TPSA94.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(morpholine-4-carbonyl)pyrrole-3-sulfonamide?
The IUPAC name of 1-methyl-5-(morpholine-4-carbonyl)pyrrole-3-sulfonamide (CID 33400694) is 1-methyl-5-(morpholine-4-carbonyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-methyl-5-(morpholine-4-carbonyl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-methyl-5-(morpholine-4-carbonyl)pyrrole-3-sulfonamide is Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCOCC1.
What is the InChIKey of 1-methyl-5-(morpholine-4-carbonyl)pyrrole-3-sulfonamide?
The InChIKey is GHVCRHNXGDINCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-12-7-8(18(11,15)16)6-9(12)10(14)13-2-4-17-5-3-13/h6-7H,2-5H2,1H3,(H2,11,15,16).
What are the key properties of 1-methyl-5-(morpholine-4-carbonyl)pyrrole-3-sulfonamide?
1-methyl-5-(morpholine-4-carbonyl)pyrrole-3-sulfonamide has a molecular weight of 273.31 g/mol, XLogP of -0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(morpholine-4-carbonyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 33400694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).