1-[[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid

C12H17N3O5S — CID 115445410

IUPAC1-[[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCn1cc(S(=O)(=O)NCC2(C(=O)O)CCC2)cc1C(N)=O
InChIInChI=1S/C12H17N3O5S/c1-15-6-8(5-9(15)10(13)16)21(19,20)14-7-12(11(17)18)3-2-4-12/h5-6,14H,2-4,7H2,1H3,(H2,13,16)(H,17,18)
InChIKeyQUWNEPOQPGSQGJ-UHFFFAOYSA-N
MW315.35 g/mol
LogP-0.34
Rot. Bonds6

About 1-[[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid

1-[[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115445410) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is 1-[[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
PubChem CID115445410
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name1-[[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCn1cc(S(=O)(=O)NCC2(C(=O)O)CCC2)cc1C(N)=O
InChIInChI=1S/C12H17N3O5S/c1-15-6-8(5-9(15)10(13)16)21(19,20)14-7-12(11(17)18)3-2-4-12/h5-6,14H,2-4,7H2,1H3,(H2,13,16)(H,17,18)
InChIKeyQUWNEPOQPGSQGJ-UHFFFAOYSA-N
XLogP-0.34
TPSA131.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 115362903
1-[[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445226
1-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311056
1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid
CID 113311051
4-[(1-hydroxycyclobutyl)methylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 115753892
3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic acid
CID 62674475
4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 106298992
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 83030008
4-(2-hydroxypropylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 43502336
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
4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 114383910

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid (CID 115445410) is 1-[[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid is Cn1cc(S(=O)(=O)NCC2(C(=O)O)CCC2)cc1C(N)=O.
What is the InChIKey of 1-[[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is QUWNEPOQPGSQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5S/c1-15-6-8(5-9(15)10(13)16)21(19,20)14-7-12(11(17)18)3-2-4-12/h5-6,14H,2-4,7H2,1H3,(H2,13,16)(H,17,18).
What are the key properties of 1-[[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid?
1-[[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 315.35 g/mol, XLogP of -0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115445410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).