4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethyl-N-methylpyrrole-2-carboxamide

C12H19N3O3S — CID 43648411

IUPAC4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethyl-N-methylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H19N3O3S/c1-3-15-7-9(13)6-11(15)12(16)14(2)10-4-5-19(17,18)8-10/h6-7,10H,3-5,8,13H2,1-2H3
InChIKeyQYGWZZFJWIUUIF-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.35
Rot. Bonds3

About 4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethyl-N-methylpyrrole-2-carboxamide

4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethyl-N-methylpyrrole-2-carboxamide (PubChem CID 43648411) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethyl-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethyl-N-methylpyrrole-2-carboxamide
PubChem CID43648411
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethyl-N-methylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H19N3O3S/c1-3-15-7-9(13)6-11(15)12(16)14(2)10-4-5-19(17,18)8-10/h6-7,10H,3-5,8,13H2,1-2H3
InChIKeyQYGWZZFJWIUUIF-UHFFFAOYSA-N
XLogP0.35
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-cycloheptyl-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43644117
4-amino-N-(1,1-dioxothian-4-yl)-1-ethylpyrrole-2-carboxamide
CID 43644123
4-bromo-N-(1,1-dioxothiolan-3-yl)-1-ethyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 60955728
4-amino-N-(1,1-dioxothian-3-yl)-1-ethylpyrrole-2-carboxamide
CID 63924660
4-bromo-N-butyl-N-(1,1-dioxothiolan-3-yl)-1-ethylpyrrole-2-carboxamide
CID 55824875
4-amino-N-cyclopropyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 55006736
N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylpyrazole-3-carboxamide
CID 110685859
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
5-amino-2-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide
CID 61102706
5-amino-N-(1,1-dioxothiolan-3-yl)-2-fluoro-N,3-dimethylbenzamide
CID 103295992
2-amino-N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzamide
CID 63110270
4-amino-1-ethyl-N-methyl-N-phenylpyrrole-2-carboxamide
CID 43641988

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethyl-N-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethyl-N-methylpyrrole-2-carboxamide (CID 43648411) is 4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethyl-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethyl-N-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethyl-N-methylpyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)N(C)C1CCS(=O)(=O)C1.
What is the InChIKey of 4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethyl-N-methylpyrrole-2-carboxamide?
The InChIKey is QYGWZZFJWIUUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-3-15-7-9(13)6-11(15)12(16)14(2)10-4-5-19(17,18)8-10/h6-7,10H,3-5,8,13H2,1-2H3.
What are the key properties of 4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethyl-N-methylpyrrole-2-carboxamide?
4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethyl-N-methylpyrrole-2-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethyl-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 43648411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).