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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Related Compounds

N-[3-(diethylamino)propyl]-2-(3-methylphenyl)acetamide
CID 127120142
N-decyl-N-[(3-methylphenyl)methyl]decan-1-amine
CID 6426056
N-[3-[4-(3-methylphenyl)butan-2-ylamino]propyl]methanesulfonamide
CID 103776608
N-(2-chloroethyl)-N-[(3-methylphenyl)methyl]butan-1-amine
CID 63389178
N-[2-[2-(diethylamino)ethoxy]ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110425166
1-(3-cyanophenyl)-N-[3-(diethylamino)propyl]methanesulfonamide
CID 78863466
4-methyl-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzenesulfonamide
CID 113066743
N-[2-(diethylamino)ethyl]-2-(3-methylphenyl)acetamide
CID 17144542
4-[[3-[benzyl(ethyl)amino]propylamino]methyl]-2,5-dimethyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxylic acid
CID 20957545
N-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
CID 71201517
1-[3-(diethylamino)propyl]-3-ethyl-2-[(3-methylphenyl)methyl]guanidine
CID 111901375
butan-1-ol;N-methyl-N-[(3-methylphenyl)methyl]propan-1-amine
CID 143932693

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).