N-[3-[ethyl-[(3-methylphenyl)methyl]amino]propyl]methanesulfonamide

C14H24N2O2S — CID 47077958

IUPACN-[3-[ethyl-[(3-methylphenyl)methyl]amino]propyl]methanesulfonamide
SMILESCCN(CCCNS(C)(=O)=O)Cc1cccc(C)c1
InChIInChI=1S/C14H24N2O2S/c1-4-16(10-6-9-15-19(3,17)18)12-14-8-5-7-13(2)11-14/h5,7-8,11,15H,4,6,9-10,12H2,1-3H3
InChIKeyOEWHPJOELKAPDQ-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.76
Rot. Bonds8

About N-[3-[ethyl-[(3-methylphenyl)methyl]amino]propyl]methanesulfonamide

N-[3-[ethyl-[(3-methylphenyl)methyl]amino]propyl]methanesulfonamide (PubChem CID 47077958) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-[3-[ethyl-[(3-methylphenyl)methyl]amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[ethyl-[(3-methylphenyl)methyl]amino]propyl]methanesulfonamide
PubChem CID47077958
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-[3-[ethyl-[(3-methylphenyl)methyl]amino]propyl]methanesulfonamide
SMILESCCN(CCCNS(C)(=O)=O)Cc1cccc(C)c1
InChIInChI=1S/C14H24N2O2S/c1-4-16(10-6-9-15-19(3,17)18)12-14-8-5-7-13(2)11-14/h5,7-8,11,15H,4,6,9-10,12H2,1-3H3
InChIKeyOEWHPJOELKAPDQ-UHFFFAOYSA-N
XLogP1.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[ethyl-[(3-methylphenyl)methyl]amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[ethyl-[(3-methylphenyl)methyl]amino]propyl]methanesulfonamide (CID 47077958) is N-[3-[ethyl-[(3-methylphenyl)methyl]amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[ethyl-[(3-methylphenyl)methyl]amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[ethyl-[(3-methylphenyl)methyl]amino]propyl]methanesulfonamide is CCN(CCCNS(C)(=O)=O)Cc1cccc(C)c1.
What is the InChIKey of N-[3-[ethyl-[(3-methylphenyl)methyl]amino]propyl]methanesulfonamide?
The InChIKey is OEWHPJOELKAPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-16(10-6-9-15-19(3,17)18)12-14-8-5-7-13(2)11-14/h5,7-8,11,15H,4,6,9-10,12H2,1-3H3.
What are the key properties of N-[3-[ethyl-[(3-methylphenyl)methyl]amino]propyl]methanesulfonamide?
N-[3-[ethyl-[(3-methylphenyl)methyl]amino]propyl]methanesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl-[(3-methylphenyl)methyl]amino]propyl]methanesulfonamide is sourced from PubChem (CID 47077958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).