N-[[(5R,7S)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide

C15H24N4O4S — CID 97476166

IUPACN-[[(5R,7S)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
SMILESCOc1cc(N2CC[C@]3(CCC[C@@H](CNS(C)(=O)=O)O3)C2)ncn1
InChIInChI=1S/C15H24N4O4S/c1-22-14-8-13(16-11-17-14)19-7-6-15(10-19)5-3-4-12(23-15)9-18-24(2,20)21/h8,11-12,18H,3-7,9-10H2,1-2H3/t12-,15+/m0/s1
InChIKeyQZFYKZYNMQWQPD-SWLSCSKDSA-N
MW356.45 g/mol
LogP0.55
Rot. Bonds5

About N-[[(5R,7S)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide

N-[[(5R,7S)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide (PubChem CID 97476166) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[[(5R,7S)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(5R,7S)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
PubChem CID97476166
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC NameN-[[(5R,7S)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
SMILESCOc1cc(N2CC[C@]3(CCC[C@@H](CNS(C)(=O)=O)O3)C2)ncn1
InChIInChI=1S/C15H24N4O4S/c1-22-14-8-13(16-11-17-14)19-7-6-15(10-19)5-3-4-12(23-15)9-18-24(2,20)21/h8,11-12,18H,3-7,9-10H2,1-2H3/t12-,15+/m0/s1
InChIKeyQZFYKZYNMQWQPD-SWLSCSKDSA-N
XLogP0.55
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(5R,7S)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(5R,7S)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide (CID 97476166) is N-[[(5R,7S)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(5R,7S)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(5R,7S)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide is COc1cc(N2CC[C@]3(CCC[C@@H](CNS(C)(=O)=O)O3)C2)ncn1.
What is the InChIKey of N-[[(5R,7S)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide?
The InChIKey is QZFYKZYNMQWQPD-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H24N4O4S/c1-22-14-8-13(16-11-17-14)19-7-6-15(10-19)5-3-4-12(23-15)9-18-24(2,20)21/h8,11-12,18H,3-7,9-10H2,1-2H3/t12-,15+/m0/s1.
What are the key properties of N-[[(5R,7S)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide?
N-[[(5R,7S)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R,7S)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide is sourced from PubChem (CID 97476166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).