N-(1-methoxypropan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide

C10H17N3O4S — CID 60718274

IUPACN-(1-methoxypropan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCOCC(C)NC(=O)c1cc(S(N)(=O)=O)cn1C
InChIInChI=1S/C10H17N3O4S/c1-7(6-17-3)12-10(14)9-4-8(5-13(9)2)18(11,15)16/h4-5,7H,6H2,1-3H3,(H,12,14)(H2,11,15,16)
InChIKeySPEYHFSBDCPKSI-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.56
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide

N-(1-methoxypropan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 60718274) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
PubChem CID60718274
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC NameN-(1-methoxypropan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCOCC(C)NC(=O)c1cc(S(N)(=O)=O)cn1C
InChIInChI=1S/C10H17N3O4S/c1-7(6-17-3)12-10(14)9-4-8(5-13(9)2)18(11,15)16/h4-5,7H,6H2,1-3H3,(H,12,14)(H2,11,15,16)
InChIKeySPEYHFSBDCPKSI-UHFFFAOYSA-N
XLogP-0.56
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 65381407
2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]propanoic acid
CID 16779987
N-(4-methoxy-2,2-dimethylbutyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 104625478
N-[(2R)-2-hydroxypropyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 83032455
N-(1-ethoxypropan-2-yl)-1-ethyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612273
3-methoxy-4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 103153124
(2S)-4-amino-2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid
CID 63713897
1-methyl-4-sulfamoyl-N-[(1S)-1-(2,4,6-trifluorophenyl)ethyl]pyrrole-2-carboxamide
CID 166370858
N-(2-ethoxyethyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 60977535
N-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 61381311
N-(4-methylpentan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612172
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 1-methyl-4-sulfamoylpyrrole-2-carboxylate
CID 43035923

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide (CID 60718274) is N-(1-methoxypropan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide is COCC(C)NC(=O)c1cc(S(N)(=O)=O)cn1C.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is SPEYHFSBDCPKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-7(6-17-3)12-10(14)9-4-8(5-13(9)2)18(11,15)16/h4-5,7H,6H2,1-3H3,(H,12,14)(H2,11,15,16).
What are the key properties of N-(1-methoxypropan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
N-(1-methoxypropan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 275.33 g/mol, XLogP of -0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 60718274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).