1-cyclopropyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide

C9H13N3O3S — CID 114611999

IUPAC1-cyclopropyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(N)(=O)=O)cn1C1CC1
InChIInChI=1S/C9H13N3O3S/c1-11-9(13)8-4-7(16(10,14)15)5-12(8)6-2-3-6/h4-6H,2-3H2,1H3,(H,11,13)(H2,10,14,15)
InChIKeyOUTMWTBUCSOFRY-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.17
Rot. Bonds3

About 1-cyclopropyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide

1-cyclopropyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 114611999) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide
PubChem CID114611999
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name1-cyclopropyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(N)(=O)=O)cn1C1CC1
InChIInChI=1S/C9H13N3O3S/c1-11-9(13)8-4-7(16(10,14)15)5-12(8)6-2-3-6/h4-6H,2-3H2,1H3,(H,11,13)(H2,10,14,15)
InChIKeyOUTMWTBUCSOFRY-UHFFFAOYSA-N
XLogP-0.17
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-(piperazine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 9504111
9-(Propan-2-yl)-2$l^{6}-thia-3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),4,6,11,13-pentaene-2,2,8-trione
CID 468238
Ethyl 4-[1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]piperazine-1-carboxylate
CID 3242023
ethyl 4-({[1-methyl-4-(pyrrolidin-1-ylsulfonyl)-1H-pyrrol-2-yl]carbonyl}amino)piperidine-1-carboxylate
CID 3244091
1-[1-Methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]-4-phenylpiperazine
CID 6625570
N,N-diethyl-4-(piperidin-1-ylsulfonyl)-1H-pyrrole-2-carboxamide
CID 22552107
N-cyclohexyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 24791926
[4-(Benzenesulfonyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 24980959
1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-2-carboxamide
CID 8003626
N-benzyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 6625794
1-methyl-4-[(3-methylpiperidin-1-yl)sulfonyl]-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide
CID 16029063
4-(1-Azepanylsulfonyl)-N-(2-fluorophenyl)-1-methyl-1H-pyrrole-2-carboxamide
CID 16029092

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide (CID 114611999) is 1-cyclopropyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide is CNC(=O)c1cc(S(N)(=O)=O)cn1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is OUTMWTBUCSOFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-11-9(13)8-4-7(16(10,14)15)5-12(8)6-2-3-6/h4-6H,2-3H2,1H3,(H,11,13)(H2,10,14,15).
What are the key properties of 1-cyclopropyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide?
1-cyclopropyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 243.29 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 114611999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).