N-ethyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butan-1-amine

C18H30N2O4S — CID 55569720

IUPACN-ethyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butan-1-amine
SMILESCCCCN(CC)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H30N2O4S/c1-3-5-10-19(4-2)11-16-24-17-6-8-18(9-7-17)25(21,22)20-12-14-23-15-13-20/h6-9H,3-5,10-16H2,1-2H3
InChIKeyHGZMEABNSCWMLA-UHFFFAOYSA-N
MW370.52 g/mol
LogP2.21
Rot. Bonds10

About N-ethyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butan-1-amine

N-ethyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butan-1-amine (PubChem CID 55569720) has the molecular formula C18H30N2O4S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-ethyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butan-1-amine
PubChem CID55569720
Molecular FormulaC18H30N2O4S
Molecular Weight370.52 g/mol
Exact Mass370.19
IUPAC NameN-ethyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butan-1-amine
SMILESCCCCN(CC)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H30N2O4S/c1-3-5-10-19(4-2)11-16-24-17-6-8-18(9-7-17)25(21,22)20-12-14-23-15-13-20/h6-9H,3-5,10-16H2,1-2H3
InChIKeyHGZMEABNSCWMLA-UHFFFAOYSA-N
XLogP2.21
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 24677372
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CID 55868879
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2-[methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]amino]propanoic acid;hydrochloride
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CID 43314386
1-(4-propoxyphenyl)sulfonylpyrrolidine
CID 60755176
N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)pyridin-1-ium-2-amine
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CID 110740101
2-[3-(diethylamino)propyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 3185266
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CID 6491400
4-[6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 91968904

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butan-1-amine?
The IUPAC name of N-ethyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butan-1-amine (CID 55569720) is N-ethyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butan-1-amine.
What is the SMILES notation for N-ethyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butan-1-amine?
The canonical SMILES for N-ethyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butan-1-amine is CCCCN(CC)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-ethyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butan-1-amine?
The InChIKey is HGZMEABNSCWMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4S/c1-3-5-10-19(4-2)11-16-24-17-6-8-18(9-7-17)25(21,22)20-12-14-23-15-13-20/h6-9H,3-5,10-16H2,1-2H3.
What are the key properties of N-ethyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butan-1-amine?
N-ethyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butan-1-amine has a molecular weight of 370.52 g/mol, XLogP of 2.21, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butan-1-amine is sourced from PubChem (CID 55569720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).