N-[(3S,8S,9aS)-3-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C14H20N4O5S — CID 7048976

IUPACN-[(3S,8S,9aS)-3-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@H]1CCN2C(=O)[C@H](C)NC(=O)[C@@H]2C1
InChIInChI=1S/C14H20N4O5S/c1-7-12(9(3)23-16-7)24(21,22)17-10-4-5-18-11(6-10)13(19)15-8(2)14(18)20/h8,10-11,17H,4-6H2,1-3H3,(H,15,19)/t8-,10-,11-/m0/s1
InChIKeyBAUPFWQUISJPIV-LSJOCFKGSA-N
MW356.40 g/mol
LogP-0.55
Rot. Bonds3

About N-[(3S,8S,9aS)-3-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[(3S,8S,9aS)-3-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 7048976) has the molecular formula C14H20N4O5S and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[(3S,8S,9aS)-3-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3S,8S,9aS)-3-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID7048976
Molecular FormulaC14H20N4O5S
Molecular Weight356.40 g/mol
Exact Mass356.12
IUPAC NameN-[(3S,8S,9aS)-3-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@H]1CCN2C(=O)[C@H](C)NC(=O)[C@@H]2C1
InChIInChI=1S/C14H20N4O5S/c1-7-12(9(3)23-16-7)24(21,22)17-10-4-5-18-11(6-10)13(19)15-8(2)14(18)20/h8,10-11,17H,4-6H2,1-3H3,(H,15,19)/t8-,10-,11-/m0/s1
InChIKeyBAUPFWQUISJPIV-LSJOCFKGSA-N
XLogP-0.55
TPSA121.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3S,8S,9aS)-3-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide with MolForge

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Related Compounds

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CID 95984012
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
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N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
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3,5-dimethyl-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1,2-oxazole-4-sulfonamide
CID 10407680
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 108563474
3,5-dimethyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]-1,2-oxazole-4-sulfonamide
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CID 56882966
3,5-dimethyl-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-sulfonamide
CID 98393451
3,5-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1,2-oxazole-4-sulfonamide
CID 91626338
N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 108566886
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Frequently Asked Questions

What is the IUPAC name of N-[(3S,8S,9aS)-3-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(3S,8S,9aS)-3-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 7048976) is N-[(3S,8S,9aS)-3-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(3S,8S,9aS)-3-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(3S,8S,9aS)-3-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N[C@H]1CCN2C(=O)[C@H](C)NC(=O)[C@@H]2C1.
What is the InChIKey of N-[(3S,8S,9aS)-3-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is BAUPFWQUISJPIV-LSJOCFKGSA-N. The full InChI is InChI=1S/C14H20N4O5S/c1-7-12(9(3)23-16-7)24(21,22)17-10-4-5-18-11(6-10)13(19)15-8(2)14(18)20/h8,10-11,17H,4-6H2,1-3H3,(H,15,19)/t8-,10-,11-/m0/s1.
What are the key properties of N-[(3S,8S,9aS)-3-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(3S,8S,9aS)-3-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 356.40 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,8S,9aS)-3-methyl-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 7048976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).