3-chloro-2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridine

C12H19ClN4O2S — CID 106086534

IUPAC3-chloro-2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridine
SMILESCN(CCCNC1CC1)S(=O)(=O)Nc1ncccc1Cl
InChIInChI=1S/C12H19ClN4O2S/c1-17(9-3-8-14-10-5-6-10)20(18,19)16-12-11(13)4-2-7-15-12/h2,4,7,10,14H,3,5-6,8-9H2,1H3,(H,15,16)
InChIKeyOSFBXVABFCFSTB-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.47
Rot. Bonds8

About 3-chloro-2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridine

3-chloro-2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridine (PubChem CID 106086534) has the molecular formula C12H19ClN4O2S and a molecular weight of 318.83 g/mol. Its IUPAC name is 3-chloro-2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridine.

Molecular Properties

Compound Name3-chloro-2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridine
PubChem CID106086534
Molecular FormulaC12H19ClN4O2S
Molecular Weight318.83 g/mol
Exact Mass318.09
IUPAC Name3-chloro-2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridine
SMILESCN(CCCNC1CC1)S(=O)(=O)Nc1ncccc1Cl
InChIInChI=1S/C12H19ClN4O2S/c1-17(9-3-8-14-10-5-6-10)20(18,19)16-12-11(13)4-2-7-15-12/h2,4,7,10,14H,3,5-6,8-9H2,1H3,(H,15,16)
InChIKeyOSFBXVABFCFSTB-UHFFFAOYSA-N
XLogP1.47
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridazine
CID 106084052
2-bromo-4-chloro-1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]benzene
CID 106073444
2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-5-methyl-1,3-thiazole
CID 106060914
3-chloro-2-(diethylsulfamoylamino)pyridine
CID 103094534
1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-4-methylsulfanylbenzene
CID 106057758
2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1H-imidazole
CID 106069204
2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-6-methylpyridine
CID 106054981
1-bromo-2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-4-fluorobenzene
CID 106087475
1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-2-fluoro-4-methylbenzene
CID 106031029
5-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1-methylpyrazole
CID 106064953
N-(3-chloro-2-pyridinyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 54880422
1-bromo-2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]benzene
CID 106051888

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridine?
The IUPAC name of 3-chloro-2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridine (CID 106086534) is 3-chloro-2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridine.
What is the SMILES notation for 3-chloro-2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridine?
The canonical SMILES for 3-chloro-2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridine is CN(CCCNC1CC1)S(=O)(=O)Nc1ncccc1Cl.
What is the InChIKey of 3-chloro-2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridine?
The InChIKey is OSFBXVABFCFSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2S/c1-17(9-3-8-14-10-5-6-10)20(18,19)16-12-11(13)4-2-7-15-12/h2,4,7,10,14H,3,5-6,8-9H2,1H3,(H,15,16).
What are the key properties of 3-chloro-2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridine?
3-chloro-2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridine has a molecular weight of 318.83 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridine is sourced from PubChem (CID 106086534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).