1-[4-morpholin-4-ylsulfonyl-3-(1,3-thiazol-2-yl)phenyl]ethanamine

C15H19N3O3S2 — CID 59506282

IUPAC1-[4-morpholin-4-ylsulfonyl-3-(1,3-thiazol-2-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(S(=O)(=O)N2CCOCC2)c(-c2nccs2)c1
InChIInChI=1S/C15H19N3O3S2/c1-11(16)12-2-3-14(13(10-12)15-17-4-9-22-15)23(19,20)18-5-7-21-8-6-18/h2-4,9-11H,5-8,16H2,1H3
InChIKeyKUZWOPWDJFUWHL-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.85
Rot. Bonds4

About 1-[4-morpholin-4-ylsulfonyl-3-(1,3-thiazol-2-yl)phenyl]ethanamine

1-[4-morpholin-4-ylsulfonyl-3-(1,3-thiazol-2-yl)phenyl]ethanamine (PubChem CID 59506282) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-[4-morpholin-4-ylsulfonyl-3-(1,3-thiazol-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-morpholin-4-ylsulfonyl-3-(1,3-thiazol-2-yl)phenyl]ethanamine
PubChem CID59506282
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC Name1-[4-morpholin-4-ylsulfonyl-3-(1,3-thiazol-2-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(S(=O)(=O)N2CCOCC2)c(-c2nccs2)c1
InChIInChI=1S/C15H19N3O3S2/c1-11(16)12-2-3-14(13(10-12)15-17-4-9-22-15)23(19,20)18-5-7-21-8-6-18/h2-4,9-11H,5-8,16H2,1H3
InChIKeyKUZWOPWDJFUWHL-UHFFFAOYSA-N
XLogP1.85
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)ethanamine
CID 82026814
4-methyl-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7035921
4-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylmorpholine
CID 163628982
N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 55456444
4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 93486226
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 25350523
5-chloro-2,4-bis(morpholin-4-ylsulfonyl)aniline
CID 1161043
4-methoxy-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 1107091
3-(1,4-oxazepan-4-ylsulfonyl)-N-propylpyridin-2-amine
CID 62966790
4-(2,4-dichloro-3-methylphenyl)sulfonylmorpholine
CID 881417
3-morpholin-4-ylsulfonylthiophene-2-carbohydrazide
CID 16646041
4-(2,3-dimethyl-5-propan-2-ylphenyl)sulfonylmorpholine;ethane;methane
CID 176665368

Frequently Asked Questions

What is the IUPAC name of 1-[4-morpholin-4-ylsulfonyl-3-(1,3-thiazol-2-yl)phenyl]ethanamine?
The IUPAC name of 1-[4-morpholin-4-ylsulfonyl-3-(1,3-thiazol-2-yl)phenyl]ethanamine (CID 59506282) is 1-[4-morpholin-4-ylsulfonyl-3-(1,3-thiazol-2-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-morpholin-4-ylsulfonyl-3-(1,3-thiazol-2-yl)phenyl]ethanamine?
The canonical SMILES for 1-[4-morpholin-4-ylsulfonyl-3-(1,3-thiazol-2-yl)phenyl]ethanamine is CC(N)c1ccc(S(=O)(=O)N2CCOCC2)c(-c2nccs2)c1.
What is the InChIKey of 1-[4-morpholin-4-ylsulfonyl-3-(1,3-thiazol-2-yl)phenyl]ethanamine?
The InChIKey is KUZWOPWDJFUWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c1-11(16)12-2-3-14(13(10-12)15-17-4-9-22-15)23(19,20)18-5-7-21-8-6-18/h2-4,9-11H,5-8,16H2,1H3.
What are the key properties of 1-[4-morpholin-4-ylsulfonyl-3-(1,3-thiazol-2-yl)phenyl]ethanamine?
1-[4-morpholin-4-ylsulfonyl-3-(1,3-thiazol-2-yl)phenyl]ethanamine has a molecular weight of 353.47 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-morpholin-4-ylsulfonyl-3-(1,3-thiazol-2-yl)phenyl]ethanamine is sourced from PubChem (CID 59506282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).