N-[3-[1-(4-bromophenyl)propan-2-ylamino]propyl]-N-ethylmethanesulfonamide

C15H25BrN2O2S — CID 103522177

IUPACN-[3-[1-(4-bromophenyl)propan-2-ylamino]propyl]-N-ethylmethanesulfonamide
SMILESCCN(CCCNC(C)Cc1ccc(Br)cc1)S(C)(=O)=O
InChIInChI=1S/C15H25BrN2O2S/c1-4-18(21(3,19)20)11-5-10-17-13(2)12-14-6-8-15(16)9-7-14/h6-9,13,17H,4-5,10-12H2,1-3H3
InChIKeyGKECYPZVYAESHI-UHFFFAOYSA-N
MW377.35 g/mol
LogP2.64
Rot. Bonds9

About N-[3-[1-(4-bromophenyl)propan-2-ylamino]propyl]-N-ethylmethanesulfonamide

N-[3-[1-(4-bromophenyl)propan-2-ylamino]propyl]-N-ethylmethanesulfonamide (PubChem CID 103522177) has the molecular formula C15H25BrN2O2S and a molecular weight of 377.35 g/mol. Its IUPAC name is N-[3-[1-(4-bromophenyl)propan-2-ylamino]propyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[1-(4-bromophenyl)propan-2-ylamino]propyl]-N-ethylmethanesulfonamide
PubChem CID103522177
Molecular FormulaC15H25BrN2O2S
Molecular Weight377.35 g/mol
Exact Mass376.08
IUPAC NameN-[3-[1-(4-bromophenyl)propan-2-ylamino]propyl]-N-ethylmethanesulfonamide
SMILESCCN(CCCNC(C)Cc1ccc(Br)cc1)S(C)(=O)=O
InChIInChI=1S/C15H25BrN2O2S/c1-4-18(21(3,19)20)11-5-10-17-13(2)12-14-6-8-15(16)9-7-14/h6-9,13,17H,4-5,10-12H2,1-3H3
InChIKeyGKECYPZVYAESHI-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 ≤ 500377.35
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-(4-phenylbutan-2-ylamino)propyl]methanesulfonamide
CID 61014351
N-[3-(1-ethoxypropan-2-ylamino)propyl]-N-ethylmethanesulfonamide
CID 115710905
2-[1-(4-bromophenyl)propan-2-ylamino]-N,N-diethylacetamide
CID 103522190
N-ethyl-N-[3-[1-(4-fluorophenyl)ethylamino]propyl]methanesulfonamide
CID 61014614
N-ethyl-N-[3-[(2-methyl-1-phenylpropyl)amino]propyl]methanesulfonamide
CID 61014241
N-[1-(4-bromophenyl)propan-2-yl]-4-methylsulfanylbutan-1-amine
CID 103087520
N-[(2S)-1-(4-bromophenyl)propan-2-yl]methanesulfonamide
CID 94145530
N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide
CID 61015400
1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride
CID 18790284
N-[1-(4-bromophenyl)propan-2-yl]-5-methylsulfanylpentan-1-amine
CID 103522476
N-ethyl-N-[3-[(4-methylphenyl)methylamino]propyl]methanesulfonamide
CID 54903483
N-ethyl-N-[3-(1-phenylpropylamino)propyl]methanesulfonamide
CID 61015402

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(4-bromophenyl)propan-2-ylamino]propyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[3-[1-(4-bromophenyl)propan-2-ylamino]propyl]-N-ethylmethanesulfonamide (CID 103522177) is N-[3-[1-(4-bromophenyl)propan-2-ylamino]propyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[3-[1-(4-bromophenyl)propan-2-ylamino]propyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[3-[1-(4-bromophenyl)propan-2-ylamino]propyl]-N-ethylmethanesulfonamide is CCN(CCCNC(C)Cc1ccc(Br)cc1)S(C)(=O)=O.
What is the InChIKey of N-[3-[1-(4-bromophenyl)propan-2-ylamino]propyl]-N-ethylmethanesulfonamide?
The InChIKey is GKECYPZVYAESHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O2S/c1-4-18(21(3,19)20)11-5-10-17-13(2)12-14-6-8-15(16)9-7-14/h6-9,13,17H,4-5,10-12H2,1-3H3.
What are the key properties of N-[3-[1-(4-bromophenyl)propan-2-ylamino]propyl]-N-ethylmethanesulfonamide?
N-[3-[1-(4-bromophenyl)propan-2-ylamino]propyl]-N-ethylmethanesulfonamide has a molecular weight of 377.35 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-[3-[1-(4-bromophenyl)propan-2-ylamino]propyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 103522177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).