4-[azetidin-3-yl(propyl)sulfamoyl]-1-methylpyrrole-2-carboxamide

C12H20N4O3S — CID 66216482

IUPAC4-[azetidin-3-yl(propyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCCCN(C1CNC1)S(=O)(=O)c1cc(C(N)=O)n(C)c1
InChIInChI=1S/C12H20N4O3S/c1-3-4-16(9-6-14-7-9)20(18,19)10-5-11(12(13)17)15(2)8-10/h5,8-9,14H,3-4,6-7H2,1-2H3,(H2,13,17)
InChIKeyDVPPCEXOEUBLOA-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.50
Rot. Bonds6

About 4-[azetidin-3-yl(propyl)sulfamoyl]-1-methylpyrrole-2-carboxamide

4-[azetidin-3-yl(propyl)sulfamoyl]-1-methylpyrrole-2-carboxamide (PubChem CID 66216482) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-[azetidin-3-yl(propyl)sulfamoyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[azetidin-3-yl(propyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
PubChem CID66216482
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name4-[azetidin-3-yl(propyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCCCN(C1CNC1)S(=O)(=O)c1cc(C(N)=O)n(C)c1
InChIInChI=1S/C12H20N4O3S/c1-3-4-16(9-6-14-7-9)20(18,19)10-5-11(12(13)17)15(2)8-10/h5,8-9,14H,3-4,6-7H2,1-2H3,(H2,13,17)
InChIKeyDVPPCEXOEUBLOA-UHFFFAOYSA-N
XLogP-0.50
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 126766175
1-methyl-4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 94661473
4-[ethyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 54878609
4-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 43578740
N-(azetidin-3-yl)-3,5-dichloro-N-propylbenzenesulfonamide
CID 66215475
N-(azetidin-3-yl)-4-iodo-N-propylbenzenesulfonamide
CID 66216683
N-(azetidin-3-yl)-1,2-dimethyl-N-propylimidazole-4-sulfonamide
CID 66215276
4-[ethyl(pyrrolidin-2-ylmethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 106608029
2-[tert-butyl-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]acetic acid
CID 79262297
1-methyl-4-piperidin-1-ylsulfonyl-N-propyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 119530376
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 107483821
4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 115867593

Frequently Asked Questions

What is the IUPAC name of 4-[azetidin-3-yl(propyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-[azetidin-3-yl(propyl)sulfamoyl]-1-methylpyrrole-2-carboxamide (CID 66216482) is 4-[azetidin-3-yl(propyl)sulfamoyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[azetidin-3-yl(propyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-[azetidin-3-yl(propyl)sulfamoyl]-1-methylpyrrole-2-carboxamide is CCCN(C1CNC1)S(=O)(=O)c1cc(C(N)=O)n(C)c1.
What is the InChIKey of 4-[azetidin-3-yl(propyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is DVPPCEXOEUBLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-3-4-16(9-6-14-7-9)20(18,19)10-5-11(12(13)17)15(2)8-10/h5,8-9,14H,3-4,6-7H2,1-2H3,(H2,13,17).
What are the key properties of 4-[azetidin-3-yl(propyl)sulfamoyl]-1-methylpyrrole-2-carboxamide?
4-[azetidin-3-yl(propyl)sulfamoyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 300.38 g/mol, XLogP of -0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[azetidin-3-yl(propyl)sulfamoyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 66216482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).