N-[2-[1-(4-butylphenyl)ethylamino]ethyl]methanesulfonamide

C15H26N2O2S — CID 43208219

IUPACN-[2-[1-(4-butylphenyl)ethylamino]ethyl]methanesulfonamide
SMILESCCCCc1ccc(C(C)NCCNS(C)(=O)=O)cc1
InChIInChI=1S/C15H26N2O2S/c1-4-5-6-14-7-9-15(10-8-14)13(2)16-11-12-17-20(3,18)19/h7-10,13,16-17H,4-6,11-12H2,1-3H3
InChIKeySSLDCGTYGSGXJX-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.23
Rot. Bonds9

About N-[2-[1-(4-butylphenyl)ethylamino]ethyl]methanesulfonamide

N-[2-[1-(4-butylphenyl)ethylamino]ethyl]methanesulfonamide (PubChem CID 43208219) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-[2-[1-(4-butylphenyl)ethylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(4-butylphenyl)ethylamino]ethyl]methanesulfonamide
PubChem CID43208219
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-[2-[1-(4-butylphenyl)ethylamino]ethyl]methanesulfonamide
SMILESCCCCc1ccc(C(C)NCCNS(C)(=O)=O)cc1
InChIInChI=1S/C15H26N2O2S/c1-4-5-6-14-7-9-15(10-8-14)13(2)16-11-12-17-20(3,18)19/h7-10,13,16-17H,4-6,11-12H2,1-3H3
InChIKeySSLDCGTYGSGXJX-UHFFFAOYSA-N
XLogP2.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.23
H-Bond Donors ≤ 52
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-[1-(4-butylphenyl)ethylamino]propyl]methanesulfonamide
CID 103776555
N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine
CID 63477867
3-methylsulfonyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 54905763
N-[1-(4-butylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 63478035
1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60903436
N-[(4-butylphenyl)methyl]methanesulfonamide
CID 22246914
N-[3-[1-(4-methylphenyl)ethylamino]propyl]methanesulfonamide
CID 113260022
1-[1-(4-butylphenyl)ethylamino]pentan-3-ol
CID 115729098
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
1-[1-(4-butylphenyl)ethylamino]propan-2-ol
CID 43499262
1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204866
1-(4-butylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 104518607

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-butylphenyl)ethylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[1-(4-butylphenyl)ethylamino]ethyl]methanesulfonamide (CID 43208219) is N-[2-[1-(4-butylphenyl)ethylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-(4-butylphenyl)ethylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-(4-butylphenyl)ethylamino]ethyl]methanesulfonamide is CCCCc1ccc(C(C)NCCNS(C)(=O)=O)cc1.
What is the InChIKey of N-[2-[1-(4-butylphenyl)ethylamino]ethyl]methanesulfonamide?
The InChIKey is SSLDCGTYGSGXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-4-5-6-14-7-9-15(10-8-14)13(2)16-11-12-17-20(3,18)19/h7-10,13,16-17H,4-6,11-12H2,1-3H3.
What are the key properties of N-[2-[1-(4-butylphenyl)ethylamino]ethyl]methanesulfonamide?
N-[2-[1-(4-butylphenyl)ethylamino]ethyl]methanesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.23, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-butylphenyl)ethylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 43208219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).