4-amino-1-ethyl-N-(2-methylsulfanylcyclopentyl)pyrrole-2-carboxamide

C13H21N3OS — CID 114121209

IUPAC4-amino-1-ethyl-N-(2-methylsulfanylcyclopentyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NC1CCCC1SC
InChIInChI=1S/C13H21N3OS/c1-3-16-8-9(14)7-11(16)13(17)15-10-5-4-6-12(10)18-2/h7-8,10,12H,3-6,14H2,1-2H3,(H,15,17)
InChIKeyQQNAKAHCCOHMAJ-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.10
Rot. Bonds4

About 4-amino-1-ethyl-N-(2-methylsulfanylcyclopentyl)pyrrole-2-carboxamide

4-amino-1-ethyl-N-(2-methylsulfanylcyclopentyl)pyrrole-2-carboxamide (PubChem CID 114121209) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(2-methylsulfanylcyclopentyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(2-methylsulfanylcyclopentyl)pyrrole-2-carboxamide
PubChem CID114121209
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name4-amino-1-ethyl-N-(2-methylsulfanylcyclopentyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NC1CCCC1SC
InChIInChI=1S/C13H21N3OS/c1-3-16-8-9(14)7-11(16)13(17)15-10-5-4-6-12(10)18-2/h7-8,10,12H,3-6,14H2,1-2H3,(H,15,17)
InChIKeyQQNAKAHCCOHMAJ-UHFFFAOYSA-N
XLogP2.10
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-ethyl-N-(1-ethylpiperidin-4-yl)pyrrole-2-carboxamide
CID 61139100
4-amino-N-(1,1-dioxothian-4-yl)-1-ethylpyrrole-2-carboxamide
CID 43644123
4-amino-N-(3,5-dimethylcyclohexyl)-1-ethylpyrrole-2-carboxamide
CID 64733612
4-amino-N-(1,1-dioxothian-3-yl)-1-ethylpyrrole-2-carboxamide
CID 63924660
4-bromo-1-ethyl-N-(2-methylcyclopentyl)pyrrole-2-carboxamide
CID 63281523
4-amino-N-(1-cyclopropylethyl)-1-ethylpyrrole-2-carboxamide
CID 43643685
4-amino-1-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 106118907
4-bromo-N-(2-tert-butylcyclohexyl)-1-ethylpyrrole-2-carboxamide
CID 63525805
4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrole-2-carboxamide
CID 62840418
4-amino-N-cycloheptyl-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43644117
4-bromo-1-ethyl-N-(2-ethylcyclohexyl)pyrrole-2-carboxamide
CID 55222795
4-amino-1-ethyl-N-(2-methyl-2-methylsulfanylpropyl)pyrrole-2-carboxamide
CID 113478489

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(2-methylsulfanylcyclopentyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(2-methylsulfanylcyclopentyl)pyrrole-2-carboxamide (CID 114121209) is 4-amino-1-ethyl-N-(2-methylsulfanylcyclopentyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(2-methylsulfanylcyclopentyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(2-methylsulfanylcyclopentyl)pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)NC1CCCC1SC.
What is the InChIKey of 4-amino-1-ethyl-N-(2-methylsulfanylcyclopentyl)pyrrole-2-carboxamide?
The InChIKey is QQNAKAHCCOHMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-3-16-8-9(14)7-11(16)13(17)15-10-5-4-6-12(10)18-2/h7-8,10,12H,3-6,14H2,1-2H3,(H,15,17).
What are the key properties of 4-amino-1-ethyl-N-(2-methylsulfanylcyclopentyl)pyrrole-2-carboxamide?
4-amino-1-ethyl-N-(2-methylsulfanylcyclopentyl)pyrrole-2-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(2-methylsulfanylcyclopentyl)pyrrole-2-carboxamide is sourced from PubChem (CID 114121209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).