1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]ethanesulfonamide

C10H16ClN5O3S — CID 166756211

IUPAC1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]ethanesulfonamide
SMILESCC(c1nc(Cl)nc(N2CCOC[C@H]2C)n1)S(N)(=O)=O
InChIInChI=1S/C10H16ClN5O3S/c1-6-5-19-4-3-16(6)10-14-8(13-9(11)15-10)7(2)20(12,17)18/h6-7H,3-5H2,1-2H3,(H2,12,17,18)/t6-,7?/m1/s1
InChIKeyOXRURSQXXZJNMS-ULUSZKPHSA-N
MW321.79 g/mol
LogP0.10
Rot. Bonds3

About 1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]ethanesulfonamide

1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]ethanesulfonamide (PubChem CID 166756211) has the molecular formula C10H16ClN5O3S and a molecular weight of 321.79 g/mol. Its IUPAC name is 1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]ethanesulfonamide.

Molecular Properties

Compound Name1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]ethanesulfonamide
PubChem CID166756211
Molecular FormulaC10H16ClN5O3S
Molecular Weight321.79 g/mol
Exact Mass321.07
IUPAC Name1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]ethanesulfonamide
SMILESCC(c1nc(Cl)nc(N2CCOC[C@H]2C)n1)S(N)(=O)=O
InChIInChI=1S/C10H16ClN5O3S/c1-6-5-19-4-3-16(6)10-14-8(13-9(11)15-10)7(2)20(12,17)18/h6-7H,3-5H2,1-2H3,(H2,12,17,18)/t6-,7?/m1/s1
InChIKeyOXRURSQXXZJNMS-ULUSZKPHSA-N
XLogP0.10
TPSA111.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine
CID 139520999
(3R)-4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-3-methylmorpholine
CID 138660464
4-[4-chloro-6-(3-propan-2-ylmorpholin-4-yl)-1,3,5-triazin-2-yl]-3-propan-2-ylmorpholine
CID 137453759
4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,3-dimethylmorpholine
CID 137453790
(3R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-propylmorpholine
CID 139505136
3-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-6-oxa-3-azabicyclo[3.1.1]heptane
CID 137453766
(3R)-3-methyl-4-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155440037
(3R)-3-methyl-4-[4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155439964
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
3-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-methyliminopent-2-en-2-amine
CID 165053605
6-(3-methylmorpholin-4-yl)pyridine-2-sulfonamide
CID 154940920
1-[4-[(3R)-3-methylmorpholin-4-yl]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropane-1-sulfonamide
CID 171463146

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]ethanesulfonamide?
The IUPAC name of 1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]ethanesulfonamide (CID 166756211) is 1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]ethanesulfonamide.
What is the SMILES notation for 1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]ethanesulfonamide?
The canonical SMILES for 1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]ethanesulfonamide is CC(c1nc(Cl)nc(N2CCOC[C@H]2C)n1)S(N)(=O)=O.
What is the InChIKey of 1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]ethanesulfonamide?
The InChIKey is OXRURSQXXZJNMS-ULUSZKPHSA-N. The full InChI is InChI=1S/C10H16ClN5O3S/c1-6-5-19-4-3-16(6)10-14-8(13-9(11)15-10)7(2)20(12,17)18/h6-7H,3-5H2,1-2H3,(H2,12,17,18)/t6-,7?/m1/s1.
What are the key properties of 1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]ethanesulfonamide?
1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]ethanesulfonamide has a molecular weight of 321.79 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]ethanesulfonamide is sourced from PubChem (CID 166756211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).