4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide

C11H18N4O3S — CID 115301253

IUPAC4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)NCC(N)C2CC2)cc1C(N)=O
InChIInChI=1S/C11H18N4O3S/c1-15-6-8(4-10(15)11(13)16)19(17,18)14-5-9(12)7-2-3-7/h4,6-7,9,14H,2-3,5,12H2,1H3,(H2,13,16)
InChIKeyUCEKYAACERDEBW-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.86
Rot. Bonds6

About 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide

4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide (PubChem CID 115301253) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
PubChem CID115301253
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)NCC(N)C2CC2)cc1C(N)=O
InChIInChI=1S/C11H18N4O3S/c1-15-6-8(4-10(15)11(13)16)19(17,18)14-5-9(12)7-2-3-7/h4,6-7,9,14H,2-3,5,12H2,1H3,(H2,13,16)
InChIKeyUCEKYAACERDEBW-UHFFFAOYSA-N
XLogP-0.86
TPSA120.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 83030008
4-(2-hydroxypropylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 43502336
3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic acid
CID 62674475
4-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 103834466
4-[(4-hydroxycyclohexyl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 106126603
N-(2-amino-2-cyclopropylethyl)-1-methylpyrazole-4-sulfonamide
CID 63765093
4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 63298942
4-[2-(cycloheptylamino)ethylsulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119987196
4-[(2-amino-2-methylpropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119988182
1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 119973057
4-[(3-hydroxycyclohexyl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 103835875
N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]acetamide
CID 63764900

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide (CID 115301253) is 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)NCC(N)C2CC2)cc1C(N)=O.
What is the InChIKey of 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is UCEKYAACERDEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-15-6-8(4-10(15)11(13)16)19(17,18)14-5-9(12)7-2-3-7/h4,6-7,9,14H,2-3,5,12H2,1H3,(H2,13,16).
What are the key properties of 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of -0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 115301253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).