N-[2-[(3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]methanesulfonamide

C15H24N4O4S — CID 124798958

IUPACN-[2-[(3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]methanesulfonamide
SMILESCOc1cc(N2CC[C@@H]3OCC[C@]3(CCNS(C)(=O)=O)C2)ncn1
InChIInChI=1S/C15H24N4O4S/c1-22-14-9-13(16-11-17-14)19-7-3-12-15(10-19,5-8-23-12)4-6-18-24(2,20)21/h9,11-12,18H,3-8,10H2,1-2H3/t12-,15+/m0/s1
InChIKeyWSTLXAREMDGGPT-SWLSCSKDSA-N
MW356.45 g/mol
LogP0.41
Rot. Bonds6

About N-[2-[(3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]methanesulfonamide

N-[2-[(3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]methanesulfonamide (PubChem CID 124798958) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[2-[(3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]methanesulfonamide
PubChem CID124798958
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC NameN-[2-[(3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]methanesulfonamide
SMILESCOc1cc(N2CC[C@@H]3OCC[C@]3(CCNS(C)(=O)=O)C2)ncn1
InChIInChI=1S/C15H24N4O4S/c1-22-14-9-13(16-11-17-14)19-7-3-12-15(10-19,5-8-23-12)4-6-18-24(2,20)21/h9,11-12,18H,3-8,10H2,1-2H3/t12-,15+/m0/s1
InChIKeyWSTLXAREMDGGPT-SWLSCSKDSA-N
XLogP0.41
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[(3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]methanesulfonamide with MolForge

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Related Compounds

(4aR,8aS)-4a-(methoxymethyl)-6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 97363005
(3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
CID 124794791
(3aS,7aR)-5-(6-methoxypyrimidin-4-yl)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
CID 97423381
N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]methanesulfonamide
CID 45497019
N-[2-[(3aS,7aR)-5-(furan-3-carbonyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]methanesulfonamide
CID 97476498
N-[2-[(3aR,7aS)-5-(5-methylfuran-2-carbonyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]methanesulfonamide
CID 124795944
N-[2-[(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]-2-methoxyacetamide
CID 98894686
4-[(4aR,6R,8aS)-8a-(methoxymethyl)-2-(6-methoxypyrimidin-4-yl)-1,3,4,4a,5,6,7,8-octahydroisoquinolin-6-yl]morpholine
CID 72902890
4-(6-methoxypyrimidin-4-yl)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 131651483
(5S)-N-cyclohexyl-9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97483665
(3aR,4S,7aR)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 124797865
N-cyclopropyl-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxamide
CID 163345372

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]methanesulfonamide (CID 124798958) is N-[2-[(3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]methanesulfonamide is COc1cc(N2CC[C@@H]3OCC[C@]3(CCNS(C)(=O)=O)C2)ncn1.
What is the InChIKey of N-[2-[(3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]methanesulfonamide?
The InChIKey is WSTLXAREMDGGPT-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H24N4O4S/c1-22-14-9-13(16-11-17-14)19-7-3-12-15(10-19,5-8-23-12)4-6-18-24(2,20)21/h9,11-12,18H,3-8,10H2,1-2H3/t12-,15+/m0/s1.
What are the key properties of N-[2-[(3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]methanesulfonamide?
N-[2-[(3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]methanesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 124798958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).