4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide

C12H19N3O5S — CID 106298992

IUPAC4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)NC2(CO)CCOCC2)cc1C(N)=O
InChIInChI=1S/C12H19N3O5S/c1-15-7-9(6-10(15)11(13)17)21(18,19)14-12(8-16)2-4-20-5-3-12/h6-7,14,16H,2-5,8H2,1H3,(H2,13,17)
InChIKeyBMWZWAOAANGOLC-UHFFFAOYSA-N
MW317.37 g/mol
LogP-1.06
Rot. Bonds5

About 4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide

4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide (PubChem CID 106298992) has the molecular formula C12H19N3O5S and a molecular weight of 317.37 g/mol. Its IUPAC name is 4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide
PubChem CID106298992
Molecular FormulaC12H19N3O5S
Molecular Weight317.37 g/mol
Exact Mass317.10
IUPAC Name4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)NC2(CO)CCOCC2)cc1C(N)=O
InChIInChI=1S/C12H19N3O5S/c1-15-7-9(6-10(15)11(13)17)21(18,19)14-12(8-16)2-4-20-5-3-12/h6-7,14,16H,2-5,8H2,1H3,(H2,13,17)
InChIKeyBMWZWAOAANGOLC-UHFFFAOYSA-N
XLogP-1.06
TPSA123.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 115362903
3-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106298751
1-[[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445410
4-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106299081
3-amino-N-[4-(hydroxymethyl)oxan-4-yl]-4,5-dimethylbenzenesulfonamide
CID 106296708
4-[(2-amino-2-methylpropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119988182
1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 119973057
(2S)-2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 61142375
5-amino-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylimidazole-4-sulfonamide
CID 106296705
2-[4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 106296983
3-amino-4-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzenesulfonamide
CID 106296764
3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic acid
CID 62674475

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide (CID 106298992) is 4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)NC2(CO)CCOCC2)cc1C(N)=O.
What is the InChIKey of 4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is BMWZWAOAANGOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5S/c1-15-7-9(6-10(15)11(13)17)21(18,19)14-12(8-16)2-4-20-5-3-12/h6-7,14,16H,2-5,8H2,1H3,(H2,13,17).
What are the key properties of 4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide?
4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 317.37 g/mol, XLogP of -1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 106298992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).