N-cyclopropyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C25H32N2O4S — CID 47075186

IUPACN-cyclopropyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESO=S(=O)(c1ccc(OCCN(C2CC2)C2CCCc3ccccc32)cc1)N1CCOCC1
InChIInChI=1S/C25H32N2O4S/c28-32(29,26-14-17-30-18-15-26)23-12-10-22(11-13-23)31-19-16-27(21-8-9-21)25-7-3-5-20-4-1-2-6-24(20)25/h1-2,4,6,10-13,21,25H,3,5,7-9,14-19H2
InChIKeyXAFJUNARZBJGPD-UHFFFAOYSA-N
MW456.61 g/mol
LogP3.63
Rot. Bonds8

About N-cyclopropyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

N-cyclopropyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 47075186) has the molecular formula C25H32N2O4S and a molecular weight of 456.61 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID47075186
Molecular FormulaC25H32N2O4S
Molecular Weight456.61 g/mol
Exact Mass456.21
IUPAC NameN-cyclopropyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESO=S(=O)(c1ccc(OCCN(C2CC2)C2CCCc3ccccc32)cc1)N1CCOCC1
InChIInChI=1S/C25H32N2O4S/c28-32(29,26-14-17-30-18-15-26)23-12-10-22(11-13-23)31-19-16-27(21-8-9-21)25-7-3-5-20-4-1-2-6-24(20)25/h1-2,4,6,10-13,21,25H,3,5,7-9,14-19H2
InChIKeyXAFJUNARZBJGPD-UHFFFAOYSA-N
XLogP3.63
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Related Compounds

N,N-dimethyl-4-[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethoxy]benzenesulfonamide
CID 42926100
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CID 28552190
4-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450785
4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
CID 34198649
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl cyclobutanecarboxylate
CID 55449133
N-ethyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butan-1-amine
CID 55569720
2-[methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]amino]propanoic acid;hydrochloride
CID 119912747
(1S)-N-cyclopropyl-N-(2-methoxyethyl)-2,3-dihydro-1H-inden-1-amine
CID 95164534
3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
CID 43314386
4-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]sulfonylmorpholine
CID 9333066
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
CID 2331090
4-[4-(3-benzylsulfanylpropoxy)phenyl]sulfonylmorpholine
CID 75393020

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-cyclopropyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 47075186) is N-cyclopropyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-cyclopropyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-cyclopropyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is O=S(=O)(c1ccc(OCCN(C2CC2)C2CCCc3ccccc32)cc1)N1CCOCC1.
What is the InChIKey of N-cyclopropyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is XAFJUNARZBJGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4S/c28-32(29,26-14-17-30-18-15-26)23-12-10-22(11-13-23)31-19-16-27(21-8-9-21)25-7-3-5-20-4-1-2-6-24(20)25/h1-2,4,6,10-13,21,25H,3,5,7-9,14-19H2.
What are the key properties of N-cyclopropyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-cyclopropyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 456.61 g/mol, XLogP of 3.63, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 47075186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).