N-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxamide

C13H21N3O3S — CID 75514495

IUPACN-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C13H21N3O3S/c1-11(2)16-10-6-7-12(16)13(17)14-20(18,19)15-8-4-3-5-9-15/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,14,17)
InChIKeyHEBLLDNVBPHYNP-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.53
Rot. Bonds4

About N-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxamide

N-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 75514495) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID75514495
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C13H21N3O3S/c1-11(2)16-10-6-7-12(16)13(17)14-20(18,19)15-8-4-3-5-9-15/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,14,17)
InChIKeyHEBLLDNVBPHYNP-UHFFFAOYSA-N
XLogP1.53
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 84597196
N-(1-methylpyrazol-4-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxamide
CID 99819528
3-methyl-N-pyrrolidin-1-ylsulfonylbenzamide
CID 47363389
4-bromo-1-methyl-N-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 99837354
propan-2-yl N-(azepan-1-ylsulfonyl)carbamate
CID 114463100
N-piperidin-1-ylsulfonylacetamide
CID 59405916
1-(1-propan-2-ylpyrrole-2-carbonyl)azepane-2-carboxylic acid
CID 64561262
N-(4-methylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 114696521
[4-methyl-4-(methylamino)piperidin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
CID 115304443
N-[2-(hydroxymethyl)cyclopentyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 103873957
1,5-dimethyl-N-pyrrolidin-1-ylsulfonylindole-2-carboxamide
CID 118100925
2-hydroxy-3-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 66165599

Frequently Asked Questions

What is the IUPAC name of N-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxamide (CID 75514495) is N-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cccc1C(=O)NS(=O)(=O)N1CCCCC1.
What is the InChIKey of N-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is HEBLLDNVBPHYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-11(2)16-10-6-7-12(16)13(17)14-20(18,19)15-8-4-3-5-9-15/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,14,17).
What are the key properties of N-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxamide?
N-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 75514495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).