2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-6-methylpyridine

C14H24N4O2S — CID 106054981

IUPAC2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-6-methylpyridine
SMILESCc1cccc(CNS(=O)(=O)N(C)CCCNC2CC2)n1
InChIInChI=1S/C14H24N4O2S/c1-12-5-3-6-14(17-12)11-16-21(19,20)18(2)10-4-9-15-13-7-8-13/h3,5-6,13,15-16H,4,7-11H2,1-2H3
InChIKeyMJENLCWYMDRRFB-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.80
Rot. Bonds9

About 2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-6-methylpyridine

2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-6-methylpyridine (PubChem CID 106054981) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-6-methylpyridine
PubChem CID106054981
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-6-methylpyridine
SMILESCc1cccc(CNS(=O)(=O)N(C)CCCNC2CC2)n1
InChIInChI=1S/C14H24N4O2S/c1-12-5-3-6-14(17-12)11-16-21(19,20)18(2)10-4-9-15-13-7-8-13/h3,5-6,13,15-16H,4,7-11H2,1-2H3
InChIKeyMJENLCWYMDRRFB-UHFFFAOYSA-N
XLogP0.80
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.80
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

1-bromo-2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]benzene
CID 106051888
2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole
CID 106378302
5-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1-methylpyrazole
CID 106064953
2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1H-imidazole
CID 106069204
4-[2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]ethyl]-2-methyl-1,3-thiazole
CID 106094989
3-(cyclopropylamino)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 62308912
N-cyclohexyl-N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 79310631
3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridazine
CID 106084052
1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-4-methylsulfanylbenzene
CID 106057758
3-chloro-2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridine
CID 106086534
2-(cyclopropylamino)-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 62306837
2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-5-methyl-1,3-thiazole
CID 106060914

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-6-methylpyridine?
The IUPAC name of 2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-6-methylpyridine (CID 106054981) is 2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-6-methylpyridine.
What is the SMILES notation for 2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-6-methylpyridine?
The canonical SMILES for 2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-6-methylpyridine is Cc1cccc(CNS(=O)(=O)N(C)CCCNC2CC2)n1.
What is the InChIKey of 2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-6-methylpyridine?
The InChIKey is MJENLCWYMDRRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-12-5-3-6-14(17-12)11-16-21(19,20)18(2)10-4-9-15-13-7-8-13/h3,5-6,13,15-16H,4,7-11H2,1-2H3.
What are the key properties of 2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-6-methylpyridine?
2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-6-methylpyridine has a molecular weight of 312.44 g/mol, XLogP of 0.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-6-methylpyridine is sourced from PubChem (CID 106054981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).