ethyl 4-(dimethylsulfamoylamino)-2-methyl-1H-pyrrole-3-carboxylate

C10H17N3O4S — CID 82880935

IUPACethyl 4-(dimethylsulfamoylamino)-2-methyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(NS(=O)(=O)N(C)C)c[nH]c1C
InChIInChI=1S/C10H17N3O4S/c1-5-17-10(14)9-7(2)11-6-8(9)12-18(15,16)13(3)4/h6,11-12H,5H2,1-4H3
InChIKeyHLFNPVDQVDYGSG-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.72
Rot. Bonds5

About ethyl 4-(dimethylsulfamoylamino)-2-methyl-1H-pyrrole-3-carboxylate

ethyl 4-(dimethylsulfamoylamino)-2-methyl-1H-pyrrole-3-carboxylate (PubChem CID 82880935) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is ethyl 4-(dimethylsulfamoylamino)-2-methyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(dimethylsulfamoylamino)-2-methyl-1H-pyrrole-3-carboxylate
PubChem CID82880935
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Nameethyl 4-(dimethylsulfamoylamino)-2-methyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(NS(=O)(=O)N(C)C)c[nH]c1C
InChIInChI=1S/C10H17N3O4S/c1-5-17-10(14)9-7(2)11-6-8(9)12-18(15,16)13(3)4/h6,11-12H,5H2,1-4H3
InChIKeyHLFNPVDQVDYGSG-UHFFFAOYSA-N
XLogP0.72
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylate
CID 82877204
ethyl 2-methyl-4-(3-methylbutylsulfonylamino)-1H-pyrrole-3-carboxylate
CID 82881335
ethyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]-1H-pyrrole-3-carboxylate
CID 82881459
ethyl 4-[(4-chlorobenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylate
CID 82877565
ethyl 2-methyl-4-(pent-4-ynoylamino)-1H-pyrrole-3-carboxylate
CID 114028551
ethyl 2-methyl-4-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrrole-3-carboxylate
CID 82880897
ethyl 2-methyl-4-(pyridazine-4-carbonylamino)-1H-pyrrole-3-carboxylate
CID 104669954
ethyl 4-[(2-bromobenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylate
CID 82876245
4-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880853
ethyl 2-methyl-4-[(2-thiophen-2-ylacetyl)amino]-1H-pyrrole-3-carboxylate
CID 82880240
ethyl 2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrrole-3-carboxylate
CID 104855956
ethyl 4-[(4-chloropyridine-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylate
CID 82877985

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(dimethylsulfamoylamino)-2-methyl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 4-(dimethylsulfamoylamino)-2-methyl-1H-pyrrole-3-carboxylate (CID 82880935) is ethyl 4-(dimethylsulfamoylamino)-2-methyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-(dimethylsulfamoylamino)-2-methyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-(dimethylsulfamoylamino)-2-methyl-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(NS(=O)(=O)N(C)C)c[nH]c1C.
What is the InChIKey of ethyl 4-(dimethylsulfamoylamino)-2-methyl-1H-pyrrole-3-carboxylate?
The InChIKey is HLFNPVDQVDYGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-5-17-10(14)9-7(2)11-6-8(9)12-18(15,16)13(3)4/h6,11-12H,5H2,1-4H3.
What are the key properties of ethyl 4-(dimethylsulfamoylamino)-2-methyl-1H-pyrrole-3-carboxylate?
ethyl 4-(dimethylsulfamoylamino)-2-methyl-1H-pyrrole-3-carboxylate has a molecular weight of 275.33 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(dimethylsulfamoylamino)-2-methyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 82880935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).