1-methyl-4-(morpholin-3-ylmethylsulfamoyl)pyrrole-2-carboxamide

C11H18N4O4S — CID 103549022

IUPAC1-methyl-4-(morpholin-3-ylmethylsulfamoyl)pyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)NCC2COCCN2)cc1C(N)=O
InChIInChI=1S/C11H18N4O4S/c1-15-6-9(4-10(15)11(12)16)20(17,18)14-5-8-7-19-3-2-13-8/h4,6,8,13-14H,2-3,5,7H2,1H3,(H2,12,16)
InChIKeyXFOVLWVZICZWGW-UHFFFAOYSA-N
MW302.36 g/mol
LogP-1.61
Rot. Bonds5

About 1-methyl-4-(morpholin-3-ylmethylsulfamoyl)pyrrole-2-carboxamide

1-methyl-4-(morpholin-3-ylmethylsulfamoyl)pyrrole-2-carboxamide (PubChem CID 103549022) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is 1-methyl-4-(morpholin-3-ylmethylsulfamoyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(morpholin-3-ylmethylsulfamoyl)pyrrole-2-carboxamide
PubChem CID103549022
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC Name1-methyl-4-(morpholin-3-ylmethylsulfamoyl)pyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)NCC2COCCN2)cc1C(N)=O
InChIInChI=1S/C11H18N4O4S/c1-15-6-9(4-10(15)11(12)16)20(17,18)14-5-8-7-19-3-2-13-8/h4,6,8,13-14H,2-3,5,7H2,1H3,(H2,12,16)
InChIKeyXFOVLWVZICZWGW-UHFFFAOYSA-N
XLogP-1.61
TPSA115.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(morpholin-3-ylmethylsulfamoyl)benzoate
CID 103548901
4-[(4-hydroxycyclohexyl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 106126603
N,1-dimethyl-4-(pyrrolidin-2-ylmethylsulfamoyl)pyrrole-2-carboxamide
CID 62541291
N-(morpholin-3-ylmethyl)-4-propylbenzenesulfonamide
CID 103548867
4-[(3-hydroxycyclohexyl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 103835875
4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 115301253
1-methyl-4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfamoyl]pyrrole-2-carboxamide
CID 55573428
4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 106298992
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 83030008
1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 119973057
4-[(2-amino-2-methylpropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119988182
4-(2-hydroxypropylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 43502336

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(morpholin-3-ylmethylsulfamoyl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-(morpholin-3-ylmethylsulfamoyl)pyrrole-2-carboxamide (CID 103549022) is 1-methyl-4-(morpholin-3-ylmethylsulfamoyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-(morpholin-3-ylmethylsulfamoyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-(morpholin-3-ylmethylsulfamoyl)pyrrole-2-carboxamide is Cn1cc(S(=O)(=O)NCC2COCCN2)cc1C(N)=O.
What is the InChIKey of 1-methyl-4-(morpholin-3-ylmethylsulfamoyl)pyrrole-2-carboxamide?
The InChIKey is XFOVLWVZICZWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-15-6-9(4-10(15)11(12)16)20(17,18)14-5-8-7-19-3-2-13-8/h4,6,8,13-14H,2-3,5,7H2,1H3,(H2,12,16).
What are the key properties of 1-methyl-4-(morpholin-3-ylmethylsulfamoyl)pyrrole-2-carboxamide?
1-methyl-4-(morpholin-3-ylmethylsulfamoyl)pyrrole-2-carboxamide has a molecular weight of 302.36 g/mol, XLogP of -1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(morpholin-3-ylmethylsulfamoyl)pyrrole-2-carboxamide is sourced from PubChem (CID 103549022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).