3,7-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

C15H21N3O3S2 — CID 51560712

IUPAC3,7-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2scc(C)n2c(=O)c1S(=O)(=O)N[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C15H21N3O3S2/c1-9-6-4-5-7-12(9)17-23(20,21)13-11(3)16-15-18(14(13)19)10(2)8-22-15/h8-9,12,17H,4-7H2,1-3H3/t9-,12-/m1/s1
InChIKeyQKRRVRGKBVOZDZ-BXKDBHETSA-N
MW355.49 g/mol
LogP2.23
Rot. Bonds3

About 3,7-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

3,7-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (PubChem CID 51560712) has the molecular formula C15H21N3O3S2 and a molecular weight of 355.49 g/mol. Its IUPAC name is 3,7-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.

Molecular Properties

Compound Name3,7-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
PubChem CID51560712
Molecular FormulaC15H21N3O3S2
Molecular Weight355.49 g/mol
Exact Mass355.10
IUPAC Name3,7-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2scc(C)n2c(=O)c1S(=O)(=O)N[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C15H21N3O3S2/c1-9-6-4-5-7-12(9)17-23(20,21)13-11(3)16-15-18(14(13)19)10(2)8-22-15/h8-9,12,17H,4-7H2,1-3H3/t9-,12-/m1/s1
InChIKeyQKRRVRGKBVOZDZ-BXKDBHETSA-N
XLogP2.23
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The IUPAC name of 3,7-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (CID 51560712) is 3,7-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.
What is the SMILES notation for 3,7-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The canonical SMILES for 3,7-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)N[C@@H]1CCCC[C@H]1C.
What is the InChIKey of 3,7-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The InChIKey is QKRRVRGKBVOZDZ-BXKDBHETSA-N. The full InChI is InChI=1S/C15H21N3O3S2/c1-9-6-4-5-7-12(9)17-23(20,21)13-11(3)16-15-18(14(13)19)10(2)8-22-15/h8-9,12,17H,4-7H2,1-3H3/t9-,12-/m1/s1.
What are the key properties of 3,7-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
3,7-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide has a molecular weight of 355.49 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is sourced from PubChem (CID 51560712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).