4-amino-1-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrole-2-carboxamide

C12H20N4O3S — CID 43644159

IUPAC4-amino-1-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H20N4O3S/c1-15-8-9(13)7-11(15)12(17)14-10-3-5-16(6-4-10)20(2,18)19/h7-8,10H,3-6,13H2,1-2H3,(H,14,17)
InChIKeyIHPOCJQNAAJITB-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.24
Rot. Bonds3

About 4-amino-1-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrole-2-carboxamide

4-amino-1-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrole-2-carboxamide (PubChem CID 43644159) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-amino-1-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrole-2-carboxamide
PubChem CID43644159
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name4-amino-1-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H20N4O3S/c1-15-8-9(13)7-11(15)12(17)14-10-3-5-16(6-4-10)20(2,18)19/h7-8,10H,3-6,13H2,1-2H3,(H,14,17)
InChIKeyIHPOCJQNAAJITB-UHFFFAOYSA-N
XLogP-0.24
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrrole-2-carboxamide
CID 43643546
4-amino-1-methyl-N-(1-methylpyrrolidin-3-yl)pyrrole-2-carboxamide
CID 61461789
4-amino-1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43642107
4-amino-N-(1-methylsulfonylpiperidin-4-yl)benzamide;hydrochloride
CID 119699919
2-amino-5-hydroxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 107074192
N-cyclopropyl-4-iodo-1-methylpyrrole-2-carboxamide
CID 168679995
4-amino-1-methyl-N-(5-oxopyrrolidin-3-yl)pyrrole-2-carboxamide
CID 106179845
2,6-dichloro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-4-carboxamide
CID 60734326
N-cyclohexyl-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 53087255
2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 108561587
4-amino-1-ethyl-N-(1-ethylpiperidin-4-yl)pyrrole-2-carboxamide
CID 61139100
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrole-2-carboxamide (CID 43644159) is 4-amino-1-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrole-2-carboxamide is Cn1cc(N)cc1C(=O)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-amino-1-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrole-2-carboxamide?
The InChIKey is IHPOCJQNAAJITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-15-8-9(13)7-11(15)12(17)14-10-3-5-16(6-4-10)20(2,18)19/h7-8,10H,3-6,13H2,1-2H3,(H,14,17).
What are the key properties of 4-amino-1-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrole-2-carboxamide?
4-amino-1-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrole-2-carboxamide has a molecular weight of 300.38 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 43644159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).