2-[1-(ethylamino)ethyl]-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol

C15H24N2O3S — CID 102883981

IUPAC2-[1-(ethylamino)ethyl]-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol
SMILESCCNC(C)c1ccc(N2CCS(=O)(=O)CC2C)cc1O
InChIInChI=1S/C15H24N2O3S/c1-4-16-12(3)14-6-5-13(9-15(14)18)17-7-8-21(19,20)10-11(17)2/h5-6,9,11-12,16,18H,4,7-8,10H2,1-3H3
InChIKeyKNGSUFLEQYTDHH-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.69
Rot. Bonds4

About 2-[1-(ethylamino)ethyl]-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol

2-[1-(ethylamino)ethyl]-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol (PubChem CID 102883981) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[1-(ethylamino)ethyl]-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol.

Molecular Properties

Compound Name2-[1-(ethylamino)ethyl]-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol
PubChem CID102883981
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-[1-(ethylamino)ethyl]-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol
SMILESCCNC(C)c1ccc(N2CCS(=O)(=O)CC2C)cc1O
InChIInChI=1S/C15H24N2O3S/c1-4-16-12(3)14-6-5-13(9-15(14)18)17-7-8-21(19,20)10-11(17)2/h5-6,9,11-12,16,18H,4,7-8,10H2,1-3H3
InChIKeyKNGSUFLEQYTDHH-UHFFFAOYSA-N
XLogP1.69
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-(1-hydroxyethyl)-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol
CID 102884585
N-ethyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]ethanamine
CID 102883931
5-(2,5-dimethylmorpholin-4-yl)-2-[1-(ethylamino)ethyl]phenol
CID 79600512
2-[1-(ethylamino)ethyl]-5-(3-ethylmorpholin-4-yl)phenol
CID 79600243
5-(2,6-dimethylmorpholin-4-yl)-2-[1-(ethylamino)ethyl]phenol
CID 79600773
1-[4-[4-[1-(ethylamino)ethyl]-3-hydroxyphenyl]piperazin-1-yl]ethanone
CID 79590209
5-(3-methylmorpholin-4-yl)-2-[1-(propylamino)ethyl]phenol
CID 79600240
2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline
CID 102882558
4-[1-(ethylamino)ethyl]benzene-1,3-diol
CID 24698646
2-[1-(ethylamino)ethyl]-5-(4-propylpiperazin-1-yl)phenol
CID 79590215
5-(2,5-dimethylpiperidin-1-yl)-2-[1-(propylamino)ethyl]phenol
CID 79591482
2-[1-(ethylamino)ethyl]-5-[2-(hydroxymethyl)morpholin-4-yl]phenol
CID 81204822

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)ethyl]-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol?
The IUPAC name of 2-[1-(ethylamino)ethyl]-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol (CID 102883981) is 2-[1-(ethylamino)ethyl]-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol.
What is the SMILES notation for 2-[1-(ethylamino)ethyl]-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol?
The canonical SMILES for 2-[1-(ethylamino)ethyl]-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol is CCNC(C)c1ccc(N2CCS(=O)(=O)CC2C)cc1O.
What is the InChIKey of 2-[1-(ethylamino)ethyl]-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol?
The InChIKey is KNGSUFLEQYTDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-16-12(3)14-6-5-13(9-15(14)18)17-7-8-21(19,20)10-11(17)2/h5-6,9,11-12,16,18H,4,7-8,10H2,1-3H3.
What are the key properties of 2-[1-(ethylamino)ethyl]-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol?
2-[1-(ethylamino)ethyl]-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol has a molecular weight of 312.44 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)ethyl]-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol is sourced from PubChem (CID 102883981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).