N-ethyl-N-[3-[(2-methyl-1-phenylpropyl)amino]propyl]methanesulfonamide

C16H28N2O2S — CID 61014241

IUPACN-ethyl-N-[3-[(2-methyl-1-phenylpropyl)amino]propyl]methanesulfonamide
SMILESCCN(CCCNC(c1ccccc1)C(C)C)S(C)(=O)=O
InChIInChI=1S/C16H28N2O2S/c1-5-18(21(4,19)20)13-9-12-17-16(14(2)3)15-10-7-6-8-11-15/h6-8,10-11,14,16-17H,5,9,12-13H2,1-4H3
InChIKeyUWNAXLTXGDKPFJ-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.64
Rot. Bonds9

About N-ethyl-N-[3-[(2-methyl-1-phenylpropyl)amino]propyl]methanesulfonamide

N-ethyl-N-[3-[(2-methyl-1-phenylpropyl)amino]propyl]methanesulfonamide (PubChem CID 61014241) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N-ethyl-N-[3-[(2-methyl-1-phenylpropyl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[(2-methyl-1-phenylpropyl)amino]propyl]methanesulfonamide
PubChem CID61014241
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN-ethyl-N-[3-[(2-methyl-1-phenylpropyl)amino]propyl]methanesulfonamide
SMILESCCN(CCCNC(c1ccccc1)C(C)C)S(C)(=O)=O
InChIInChI=1S/C16H28N2O2S/c1-5-18(21(4,19)20)13-9-12-17-16(14(2)3)15-10-7-6-8-11-15/h6-8,10-11,14,16-17H,5,9,12-13H2,1-4H3
InChIKeyUWNAXLTXGDKPFJ-UHFFFAOYSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.64
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-ethyl-N-[3-(1-phenylpropylamino)propyl]methanesulfonamide
CID 61015402
N-ethyl-N-[3-(4-phenylbutan-2-ylamino)propyl]methanesulfonamide
CID 61014351
N-ethyl-N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]methanesulfonamide
CID 61013662
N-ethyl-N-[3-[1-(4-fluorophenyl)ethylamino]propyl]methanesulfonamide
CID 61014614
N'-ethyl-N'-methyl-N-(2-methyl-1-phenylpropyl)ethane-1,2-diamine
CID 62636240
N-ethyl-N-[3-[1-(2-hydroxyphenyl)propylamino]propyl]methanesulfonamide
CID 61013782
N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide
CID 61015400
N-ethyl-N-[3-[1-(furan-2-yl)propylamino]propyl]methanesulfonamide
CID 55098017
N'-methyl-N-(2-methyl-1-phenylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 62636093
N-ethyl-N-[3-(4-phenylbutylamino)propyl]methanesulfonamide
CID 114333227
1-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine;hydroiodide
CID 111403144
3-[(2-methyl-1-phenylpropyl)amino]propanoic acid
CID 43234771

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[(2-methyl-1-phenylpropyl)amino]propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[(2-methyl-1-phenylpropyl)amino]propyl]methanesulfonamide (CID 61014241) is N-ethyl-N-[3-[(2-methyl-1-phenylpropyl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[(2-methyl-1-phenylpropyl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[(2-methyl-1-phenylpropyl)amino]propyl]methanesulfonamide is CCN(CCCNC(c1ccccc1)C(C)C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-[(2-methyl-1-phenylpropyl)amino]propyl]methanesulfonamide?
The InChIKey is UWNAXLTXGDKPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-5-18(21(4,19)20)13-9-12-17-16(14(2)3)15-10-7-6-8-11-15/h6-8,10-11,14,16-17H,5,9,12-13H2,1-4H3.
What are the key properties of N-ethyl-N-[3-[(2-methyl-1-phenylpropyl)amino]propyl]methanesulfonamide?
N-ethyl-N-[3-[(2-methyl-1-phenylpropyl)amino]propyl]methanesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[(2-methyl-1-phenylpropyl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 61014241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).