1-[4-[(3R)-3-methylmorpholin-4-yl]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropane-1-sulfonamide

C12H19N5O3S2 — CID 171463146

IUPAC1-[4-[(3R)-3-methylmorpholin-4-yl]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropane-1-sulfonamide
SMILESCSc1nc(N2CCOC[C@H]2C)nc(C2(S(N)(=O)=O)CC2)n1
InChIInChI=1S/C12H19N5O3S2/c1-8-7-20-6-5-17(8)10-14-9(15-11(16-10)21-2)12(3-4-12)22(13,18)19/h8H,3-7H2,1-2H3,(H2,13,18,19)/t8-/m1/s1
InChIKeyVNVMNTVWLHHBAP-MRVPVSSYSA-N
MW345.45 g/mol
LogP0.10
Rot. Bonds4

About 1-[4-[(3R)-3-methylmorpholin-4-yl]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropane-1-sulfonamide

1-[4-[(3R)-3-methylmorpholin-4-yl]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropane-1-sulfonamide (PubChem CID 171463146) has the molecular formula C12H19N5O3S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-[4-[(3R)-3-methylmorpholin-4-yl]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropane-1-sulfonamide.

Molecular Properties

Compound Name1-[4-[(3R)-3-methylmorpholin-4-yl]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropane-1-sulfonamide
PubChem CID171463146
Molecular FormulaC12H19N5O3S2
Molecular Weight345.45 g/mol
Exact Mass345.09
IUPAC Name1-[4-[(3R)-3-methylmorpholin-4-yl]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropane-1-sulfonamide
SMILESCSc1nc(N2CCOC[C@H]2C)nc(C2(S(N)(=O)=O)CC2)n1
InChIInChI=1S/C12H19N5O3S2/c1-8-7-20-6-5-17(8)10-14-9(15-11(16-10)21-2)12(3-4-12)22(13,18)19/h8H,3-7H2,1-2H3,(H2,13,18,19)/t8-/m1/s1
InChIKeyVNVMNTVWLHHBAP-MRVPVSSYSA-N
XLogP0.10
TPSA111.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-[(3R)-3-methylmorpholin-4-yl]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropane-1-sulfonamide with MolForge

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Related Compounds

imino-methyl-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-oxo-λ6-sulfane
CID 166756222
imino-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-oxo-phenyl-λ6-sulfane
CID 166756227
(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
6-(3-methylmorpholin-4-yl)pyridine-2-sulfonamide
CID 154940920
4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine
CID 139520999
1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]ethanesulfonamide
CID 166756211
5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428489
CID 167996467
CID 167996467
imino-methyl-[1-[2-[(3R)-3-methylmorpholin-4-yl]-6-naphthalen-1-ylpyrimidin-4-yl]cyclopropyl]-oxo-λ6-sulfane
CID 166756257
3-[4-(2-aminopyrimidin-5-yl)-2-[(3S)-3-methylmorpholin-4-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]azetidine-1-sulfonamide
CID 118444316
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3R)-3-methylmorpholin-4-yl]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropane-1-sulfonamide?
The IUPAC name of 1-[4-[(3R)-3-methylmorpholin-4-yl]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropane-1-sulfonamide (CID 171463146) is 1-[4-[(3R)-3-methylmorpholin-4-yl]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropane-1-sulfonamide.
What is the SMILES notation for 1-[4-[(3R)-3-methylmorpholin-4-yl]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropane-1-sulfonamide?
The canonical SMILES for 1-[4-[(3R)-3-methylmorpholin-4-yl]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropane-1-sulfonamide is CSc1nc(N2CCOC[C@H]2C)nc(C2(S(N)(=O)=O)CC2)n1.
What is the InChIKey of 1-[4-[(3R)-3-methylmorpholin-4-yl]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropane-1-sulfonamide?
The InChIKey is VNVMNTVWLHHBAP-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H19N5O3S2/c1-8-7-20-6-5-17(8)10-14-9(15-11(16-10)21-2)12(3-4-12)22(13,18)19/h8H,3-7H2,1-2H3,(H2,13,18,19)/t8-/m1/s1.
What are the key properties of 1-[4-[(3R)-3-methylmorpholin-4-yl]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropane-1-sulfonamide?
1-[4-[(3R)-3-methylmorpholin-4-yl]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropane-1-sulfonamide has a molecular weight of 345.45 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3R)-3-methylmorpholin-4-yl]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropane-1-sulfonamide is sourced from PubChem (CID 171463146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).