N-[3-(cyclopropylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

C11H19N3O3S — CID 43598680

IUPACN-[3-(cyclopropylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)NCCCNC2CC2)no1
InChIInChI=1S/C11H19N3O3S/c1-9-7-11(14-17-9)8-18(15,16)13-6-2-5-12-10-3-4-10/h7,10,12-13H,2-6,8H2,1H3
InChIKeyJDGLBJDMYZREOW-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.54
Rot. Bonds8

About N-[3-(cyclopropylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

N-[3-(cyclopropylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 43598680) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
PubChem CID43598680
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-[3-(cyclopropylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)NCCCNC2CC2)no1
InChIInChI=1S/C11H19N3O3S/c1-9-7-11(14-17-9)8-18(15,16)13-6-2-5-12-10-3-4-10/h7,10,12-13H,2-6,8H2,1H3
InChIKeyJDGLBJDMYZREOW-UHFFFAOYSA-N
XLogP0.54
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.54
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (CID 43598680) is N-[3-(cyclopropylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is Cc1cc(CS(=O)(=O)NCCCNC2CC2)no1.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is JDGLBJDMYZREOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-9-7-11(14-17-9)8-18(15,16)13-6-2-5-12-10-3-4-10/h7,10,12-13H,2-6,8H2,1H3.
What are the key properties of N-[3-(cyclopropylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
N-[3-(cyclopropylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 43598680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).