methyl 5-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]pyridine-2-carboxylate

C14H21N3O4S — CID 164632857

IUPACmethyl 5-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(CNS(=O)(=O)N(C)[C@@H](C)C2CC2)cn1
InChIInChI=1S/C14H21N3O4S/c1-10(12-5-6-12)17(2)22(19,20)16-9-11-4-7-13(15-8-11)14(18)21-3/h4,7-8,10,12,16H,5-6,9H2,1-3H3/t10-/m0/s1
InChIKeyQUYQBNYYTCRXQE-JTQLQIEISA-N
MW327.41 g/mol
LogP0.93
Rot. Bonds7

About methyl 5-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]pyridine-2-carboxylate

methyl 5-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]pyridine-2-carboxylate (PubChem CID 164632857) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is methyl 5-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]pyridine-2-carboxylate
PubChem CID164632857
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Namemethyl 5-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(CNS(=O)(=O)N(C)[C@@H](C)C2CC2)cn1
InChIInChI=1S/C14H21N3O4S/c1-10(12-5-6-12)17(2)22(19,20)16-9-11-4-7-13(15-8-11)14(18)21-3/h4,7-8,10,12,16H,5-6,9H2,1-3H3/t10-/m0/s1
InChIKeyQUYQBNYYTCRXQE-JTQLQIEISA-N
XLogP0.93
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]pyridine-2-carboxylate with MolForge

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Related Compounds

methyl 5-[[[2-(cyclohexylmethyl)-3-methylbutanoyl]amino]methyl]pyridine-2-carboxylate
CID 166373465
methyl 5-(hydroxymethyl)pyridine-2-carboxylate
CID 18974051
5-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81099217
ethane;methyl 5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxylate
CID 142388735
2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1H-benzimidazole
CID 99789797
2-[2-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]amino]ethyl]-1,3-benzothiazole
CID 95968803
methyl 5-(2,2-diphenylethyl)pyridine-2-carboxylate
CID 159420112
5-[(2,3-dihydro-1H-inden-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid
CID 167756105
2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1-ethylbenzimidazole
CID 95289819
5-[(dimethylsulfamoylamino)methyl]-2-methylpyridine
CID 47215825
5-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid
CID 81092682
N-(1-cyclopropylethyl)-5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104640296

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]pyridine-2-carboxylate (CID 164632857) is methyl 5-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]pyridine-2-carboxylate is COC(=O)c1ccc(CNS(=O)(=O)N(C)[C@@H](C)C2CC2)cn1.
What is the InChIKey of methyl 5-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]pyridine-2-carboxylate?
The InChIKey is QUYQBNYYTCRXQE-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-10(12-5-6-12)17(2)22(19,20)16-9-11-4-7-13(15-8-11)14(18)21-3/h4,7-8,10,12,16H,5-6,9H2,1-3H3/t10-/m0/s1.
What are the key properties of methyl 5-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]pyridine-2-carboxylate?
methyl 5-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]pyridine-2-carboxylate has a molecular weight of 327.41 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 164632857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).