N-(3-ethylsulfonylpropyl)-4-morpholin-4-ylaniline

C15H24N2O3S — CID 65093375

IUPACN-(3-ethylsulfonylpropyl)-4-morpholin-4-ylaniline
SMILESCCS(=O)(=O)CCCNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-2-21(18,19)13-3-8-16-14-4-6-15(7-5-14)17-9-11-20-12-10-17/h4-7,16H,2-3,8-13H2,1H3
InChIKeyWQIQVUZIAUOLLV-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.76
Rot. Bonds7

About N-(3-ethylsulfonylpropyl)-4-morpholin-4-ylaniline

N-(3-ethylsulfonylpropyl)-4-morpholin-4-ylaniline (PubChem CID 65093375) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is N-(3-ethylsulfonylpropyl)-4-morpholin-4-ylaniline.

Molecular Properties

Compound NameN-(3-ethylsulfonylpropyl)-4-morpholin-4-ylaniline
PubChem CID65093375
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC NameN-(3-ethylsulfonylpropyl)-4-morpholin-4-ylaniline
SMILESCCS(=O)(=O)CCCNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-2-21(18,19)13-3-8-16-14-4-6-15(7-5-14)17-9-11-20-12-10-17/h4-7,16H,2-3,8-13H2,1H3
InChIKeyWQIQVUZIAUOLLV-UHFFFAOYSA-N
XLogP1.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-morpholin-4-ylaniline
CID 28675754
4-morpholin-4-yl-N-pent-4-ynylaniline
CID 113374169
N-(3-methylbutyl)-4-morpholin-4-ylaniline
CID 28675688
N'-tert-butyl-N-(4-morpholin-4-ylphenyl)ethane-1,2-diamine
CID 107444694
5-(4-morpholin-4-ylanilino)pentanenitrile
CID 63172451
methyl 3-(4-morpholin-4-ylanilino)propanoate
CID 63180474
N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylaniline
CID 63180015
N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline
CID 20785895
4-morpholin-4-yl-N-(2-propan-2-yloxyethyl)aniline
CID 55025471
2-hydroxy-2-methyl-3-(4-morpholin-4-ylanilino)propanoic acid
CID 104644459
N-methyl-2-[(4-morpholin-4-ylphenyl)methylamino]ethanesulfonamide
CID 102674921
1-(4-morpholin-4-ylphenyl)-3-propylurea
CID 2788991

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfonylpropyl)-4-morpholin-4-ylaniline?
The IUPAC name of N-(3-ethylsulfonylpropyl)-4-morpholin-4-ylaniline (CID 65093375) is N-(3-ethylsulfonylpropyl)-4-morpholin-4-ylaniline.
What is the SMILES notation for N-(3-ethylsulfonylpropyl)-4-morpholin-4-ylaniline?
The canonical SMILES for N-(3-ethylsulfonylpropyl)-4-morpholin-4-ylaniline is CCS(=O)(=O)CCCNc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(3-ethylsulfonylpropyl)-4-morpholin-4-ylaniline?
The InChIKey is WQIQVUZIAUOLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-2-21(18,19)13-3-8-16-14-4-6-15(7-5-14)17-9-11-20-12-10-17/h4-7,16H,2-3,8-13H2,1H3.
What are the key properties of N-(3-ethylsulfonylpropyl)-4-morpholin-4-ylaniline?
N-(3-ethylsulfonylpropyl)-4-morpholin-4-ylaniline has a molecular weight of 312.43 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfonylpropyl)-4-morpholin-4-ylaniline is sourced from PubChem (CID 65093375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).