(3R)-N-(furan-2-ylmethyl)-N-methyl-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine

C15H24N2O4S — CID 97371394

IUPAC(3R)-N-(furan-2-ylmethyl)-N-methyl-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(Cc1ccco1)[C@H]1COC2(CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C15H24N2O4S/c1-16(11-14-4-3-9-20-14)13-10-15(21-12-13)5-7-17(8-6-15)22(2,18)19/h3-4,9,13H,5-8,10-12H2,1-2H3/t13-/m1/s1
InChIKeyHIEMIZXASLYLJX-CYBMUJFWSA-N
MW328.43 g/mol
LogP1.29
Rot. Bonds4

About (3R)-N-(furan-2-ylmethyl)-N-methyl-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine

(3R)-N-(furan-2-ylmethyl)-N-methyl-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 97371394) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is (3R)-N-(furan-2-ylmethyl)-N-methyl-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name(3R)-N-(furan-2-ylmethyl)-N-methyl-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID97371394
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name(3R)-N-(furan-2-ylmethyl)-N-methyl-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(Cc1ccco1)[C@H]1COC2(CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C15H24N2O4S/c1-16(11-14-4-3-9-20-14)13-10-15(21-12-13)5-7-17(8-6-15)22(2,18)19/h3-4,9,13H,5-8,10-12H2,1-2H3/t13-/m1/s1
InChIKeyHIEMIZXASLYLJX-CYBMUJFWSA-N
XLogP1.29
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 131662070
(3R)-N-(furan-2-ylmethyl)-N-methyl-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371380
[(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone
CID 97450634
[(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone
CID 97450643
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone
CID 131640830
N-(furan-2-ylmethyl)-N-methyl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 131655737
(3R)-N-(furan-2-ylmethyl)-N-methyl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371364
furan-2-yl-[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155833282
(3S)-N-(furan-2-ylmethyl)-8-(6-methoxypyrimidin-4-yl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97450633
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
CID 131649158
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 171686108
8-(5-ethylpyrimidin-2-yl)-N-(furan-2-ylmethyl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
CID 155840163

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(furan-2-ylmethyl)-N-methyl-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of (3R)-N-(furan-2-ylmethyl)-N-methyl-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 97371394) is (3R)-N-(furan-2-ylmethyl)-N-methyl-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for (3R)-N-(furan-2-ylmethyl)-N-methyl-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for (3R)-N-(furan-2-ylmethyl)-N-methyl-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine is CN(Cc1ccco1)[C@H]1COC2(CCN(S(C)(=O)=O)CC2)C1.
What is the InChIKey of (3R)-N-(furan-2-ylmethyl)-N-methyl-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is HIEMIZXASLYLJX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-16(11-14-4-3-9-20-14)13-10-15(21-12-13)5-7-17(8-6-15)22(2,18)19/h3-4,9,13H,5-8,10-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-N-(furan-2-ylmethyl)-N-methyl-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
(3R)-N-(furan-2-ylmethyl)-N-methyl-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 328.43 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(furan-2-ylmethyl)-N-methyl-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 97371394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).