4-amino-N-(3-ethylsulfanylcyclopentyl)-1H-pyrrole-2-carboxamide

C12H19N3OS — CID 114122255

IUPAC4-amino-N-(3-ethylsulfanylcyclopentyl)-1H-pyrrole-2-carboxamide
SMILESCCSC1CCC(NC(=O)c2cc(N)c[nH]2)C1
InChIInChI=1S/C12H19N3OS/c1-2-17-10-4-3-9(6-10)15-12(16)11-5-8(13)7-14-11/h5,7,9-10,14H,2-4,6,13H2,1H3,(H,15,16)
InChIKeyAJDWRNBXWFYMFS-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.00
Rot. Bonds4

About 4-amino-N-(3-ethylsulfanylcyclopentyl)-1H-pyrrole-2-carboxamide

4-amino-N-(3-ethylsulfanylcyclopentyl)-1H-pyrrole-2-carboxamide (PubChem CID 114122255) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-amino-N-(3-ethylsulfanylcyclopentyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-ethylsulfanylcyclopentyl)-1H-pyrrole-2-carboxamide
PubChem CID114122255
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name4-amino-N-(3-ethylsulfanylcyclopentyl)-1H-pyrrole-2-carboxamide
SMILESCCSC1CCC(NC(=O)c2cc(N)c[nH]2)C1
InChIInChI=1S/C12H19N3OS/c1-2-17-10-4-3-9(6-10)15-12(16)11-5-8(13)7-14-11/h5,7,9-10,14H,2-4,6,13H2,1H3,(H,15,16)
InChIKeyAJDWRNBXWFYMFS-UHFFFAOYSA-N
XLogP2.00
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(4-methylcyclohexyl)-1H-pyrrole-2-carboxamide
CID 43642104
N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzamide
CID 113245262
N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 100627468
5-amino-N-(3-ethylsulfanylcyclopentyl)-1-methylpyrazole-4-carboxamide
CID 104589681
4-amino-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 105056170
4-amino-N-(thiolan-3-yl)-1H-pyrrole-2-carboxamide
CID 103062224
4-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 61102372
N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 103709498
2-amino-N-(3-ethylsulfanylcyclopentyl)propanamide
CID 103797921
5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 103709559
5-[(3-ethylsulfanylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid
CID 103714417
5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyridine-3-carboxamide
CID 114124045

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-ethylsulfanylcyclopentyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(3-ethylsulfanylcyclopentyl)-1H-pyrrole-2-carboxamide (CID 114122255) is 4-amino-N-(3-ethylsulfanylcyclopentyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3-ethylsulfanylcyclopentyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(3-ethylsulfanylcyclopentyl)-1H-pyrrole-2-carboxamide is CCSC1CCC(NC(=O)c2cc(N)c[nH]2)C1.
What is the InChIKey of 4-amino-N-(3-ethylsulfanylcyclopentyl)-1H-pyrrole-2-carboxamide?
The InChIKey is AJDWRNBXWFYMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-2-17-10-4-3-9(6-10)15-12(16)11-5-8(13)7-14-11/h5,7,9-10,14H,2-4,6,13H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(3-ethylsulfanylcyclopentyl)-1H-pyrrole-2-carboxamide?
4-amino-N-(3-ethylsulfanylcyclopentyl)-1H-pyrrole-2-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethylsulfanylcyclopentyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 114122255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).