2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole

C13H24N4O3S — CID 106378302

IUPAC2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(CNS(=O)(=O)N(C)CCCNC2CC2)oc1C
InChIInChI=1S/C13H24N4O3S/c1-10-11(2)20-13(16-10)9-15-21(18,19)17(3)8-4-7-14-12-5-6-12/h12,14-15H,4-9H2,1-3H3
InChIKeyNSXBPRFSSCPOBX-UHFFFAOYSA-N
MW316.43 g/mol
LogP0.70
Rot. Bonds9

About 2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole

2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 106378302) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole
PubChem CID106378302
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(CNS(=O)(=O)N(C)CCCNC2CC2)oc1C
InChIInChI=1S/C13H24N4O3S/c1-10-11(2)20-13(16-10)9-15-21(18,19)17(3)8-4-7-14-12-5-6-12/h12,14-15H,4-9H2,1-3H3
InChIKeyNSXBPRFSSCPOBX-UHFFFAOYSA-N
XLogP0.70
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-6-methylpyridine
CID 106054981
5-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1-methylpyrazole
CID 106064953
2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1H-imidazole
CID 106069204
1-bromo-2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]benzene
CID 106051888
4-[2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]ethyl]-2-methyl-1,3-thiazole
CID 106094989
2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 106053324
[3-[methyl(pentan-2-ylsulfamoyl)amino]propylamino]cyclopropane
CID 106046227
2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-5-methyl-1,3-thiazole
CID 106060914
[3-[methyl-[2-(2-methylpropoxy)ethylsulfamoyl]amino]propylamino]cyclopropane
CID 106085300
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 109429612
[3-[methyl(3-methylpentan-3-ylsulfamoyl)amino]propylamino]cyclopropane
CID 106331865
[3-[1-methoxypropan-2-ylsulfamoyl(methyl)amino]propylamino]cyclopropane
CID 106056961

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole (CID 106378302) is 2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole is Cc1nc(CNS(=O)(=O)N(C)CCCNC2CC2)oc1C.
What is the InChIKey of 2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is NSXBPRFSSCPOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-10-11(2)20-13(16-10)9-15-21(18,19)17(3)8-4-7-14-12-5-6-12/h12,14-15H,4-9H2,1-3H3.
What are the key properties of 2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole?
2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 316.43 g/mol, XLogP of 0.70, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 106378302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).