4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide

C13H21N3O4S — CID 115362903

IUPAC4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)NCC2(CO)CCCC2)cc1C(N)=O
InChIInChI=1S/C13H21N3O4S/c1-16-7-10(6-11(16)12(14)18)21(19,20)15-8-13(9-17)4-2-3-5-13/h6-7,15,17H,2-5,8-9H2,1H3,(H2,14,18)
InChIKeyBGIPENQEGXJSNJ-UHFFFAOYSA-N
MW315.39 g/mol
LogP-0.05
Rot. Bonds6

About 4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide

4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide (PubChem CID 115362903) has the molecular formula C13H21N3O4S and a molecular weight of 315.39 g/mol. Its IUPAC name is 4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide
PubChem CID115362903
Molecular FormulaC13H21N3O4S
Molecular Weight315.39 g/mol
Exact Mass315.13
IUPAC Name4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)NCC2(CO)CCCC2)cc1C(N)=O
InChIInChI=1S/C13H21N3O4S/c1-16-7-10(6-11(16)12(14)18)21(19,20)15-8-13(9-17)4-2-3-5-13/h6-7,15,17H,2-5,8-9H2,1H3,(H2,14,18)
InChIKeyBGIPENQEGXJSNJ-UHFFFAOYSA-N
XLogP-0.05
TPSA114.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445410
4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 106298992
4-[(1-aminocycloheptyl)methylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 119998679
3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic acid
CID 62674475
1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 119973057
4-[(2-amino-2-methylpropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119988182
4-(2-hydroxypropylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 43502336
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 83030008
(2S)-2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 61142375
N-[4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]phenyl]acetamide
CID 110642376
4-[(1-hydroxycyclobutyl)methylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 115753892
4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 115301253

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide (CID 115362903) is 4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)NCC2(CO)CCCC2)cc1C(N)=O.
What is the InChIKey of 4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is BGIPENQEGXJSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-16-7-10(6-11(16)12(14)18)21(19,20)15-8-13(9-17)4-2-3-5-13/h6-7,15,17H,2-5,8-9H2,1H3,(H2,14,18).
What are the key properties of 4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide?
4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 315.39 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 115362903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).