(3R)-8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane

C16H29NO5S — CID 97474992

IUPAC(3R)-8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESCCS(=O)(=O)N1CCC2(CC1)C[C@@H](OCC1CCOCC1)CO2
InChIInChI=1S/C16H29NO5S/c1-2-23(18,19)17-7-5-16(6-8-17)11-15(13-22-16)21-12-14-3-9-20-10-4-14/h14-15H,2-13H2,1H3/t15-/m1/s1
InChIKeyYGDFEBDYZYFYLV-OAHLLOKOSA-N
MW347.48 g/mol
LogP1.40
Rot. Bonds5

About (3R)-8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane

(3R)-8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97474992) has the molecular formula C16H29NO5S and a molecular weight of 347.48 g/mol. Its IUPAC name is (3R)-8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
PubChem CID97474992
Molecular FormulaC16H29NO5S
Molecular Weight347.48 g/mol
Exact Mass347.18
IUPAC Name(3R)-8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESCCS(=O)(=O)N1CCC2(CC1)C[C@@H](OCC1CCOCC1)CO2
InChIInChI=1S/C16H29NO5S/c1-2-23(18,19)17-7-5-16(6-8-17)11-15(13-22-16)21-12-14-3-9-20-10-4-14/h14-15H,2-13H2,1H3/t15-/m1/s1
InChIKeyYGDFEBDYZYFYLV-OAHLLOKOSA-N
XLogP1.40
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide
CID 118739208
[3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-1-ylmethanone
CID 131650344
(3R,5S)-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97487542
(3R)-8-[(2-methylphenyl)methyl]-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97418922
(3R,5S)-7-[(4-methylphenyl)methyl]-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97419962
(3S,5R)-3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-sulfonamide
CID 124802411
8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 131653681
(3R,5S)-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
CID 155848041
(3S)-8-ethylsulfonyl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane
CID 97371322
(3S,5S)-9-(furan-3-ylmethyl)-3-(oxan-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane
CID 97475120
(3R,5S)-9-ethylsulfonyl-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-9-azaspiro[4.5]decane
CID 97482295
[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(4-methoxyphenyl)methanone
CID 97474497

Frequently Asked Questions

What is the IUPAC name of (3R)-8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane (CID 97474992) is (3R)-8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane is CCS(=O)(=O)N1CCC2(CC1)C[C@@H](OCC1CCOCC1)CO2.
What is the InChIKey of (3R)-8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is YGDFEBDYZYFYLV-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H29NO5S/c1-2-23(18,19)17-7-5-16(6-8-17)11-15(13-22-16)21-12-14-3-9-20-10-4-14/h14-15H,2-13H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
(3R)-8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 347.48 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97474992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).