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

C10H19N3O3S — CID 47409894

IUPACN-[3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propyl]methanesulfonamide
SMILESCc1cc(CN(C)CCCNS(C)(=O)=O)no1
InChIInChI=1S/C10H19N3O3S/c1-9-7-10(12-16-9)8-13(2)6-4-5-11-17(3,14)15/h7,11H,4-6,8H2,1-3H3
InChIKeyJTYDRLSOGZFRLT-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.35
Rot. Bonds7

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

N-[3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propyl]methanesulfonamide (PubChem CID 47409894) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propyl]methanesulfonamide
PubChem CID47409894
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC NameN-[3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propyl]methanesulfonamide
SMILESCc1cc(CN(C)CCCNS(C)(=O)=O)no1
InChIInChI=1S/C10H19N3O3S/c1-9-7-10(12-16-9)8-13(2)6-4-5-11-17(3,14)15/h7,11H,4-6,8H2,1-3H3
InChIKeyJTYDRLSOGZFRLT-UHFFFAOYSA-N
XLogP0.35
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.35
H-Bond Donors ≤ 51
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-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propyl]methanesulfonamide (CID 47409894) is N-[3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propyl]methanesulfonamide is Cc1cc(CN(C)CCCNS(C)(=O)=O)no1.
What is the InChIKey of N-[3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propyl]methanesulfonamide?
The InChIKey is JTYDRLSOGZFRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-9-7-10(12-16-9)8-13(2)6-4-5-11-17(3,14)15/h7,11H,4-6,8H2,1-3H3.
What are the key properties of N-[3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propyl]methanesulfonamide?
N-[3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propyl]methanesulfonamide has a molecular weight of 261.35 g/mol, XLogP of 0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propyl]methanesulfonamide is sourced from PubChem (CID 47409894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).