[8-(cyclopropylmethyl)-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(oxazinan-2-yl)methanone

C16H27N3O5S — CID 133139786

IUPAC[8-(cyclopropylmethyl)-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(oxazinan-2-yl)methanone
SMILESCS(=O)(=O)N1CC2(CN(CC3CC3)C(C(=O)N3CCCCO3)CO2)C1
InChIInChI=1S/C16H27N3O5S/c1-25(21,22)18-11-16(12-18)10-17(8-13-4-5-13)14(9-23-16)15(20)19-6-2-3-7-24-19/h13-14H,2-12H2,1H3
InChIKeyVRAMSARMTBFFEZ-UHFFFAOYSA-N
MW373.48 g/mol
LogP-0.33
Rot. Bonds4

About [8-(cyclopropylmethyl)-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(oxazinan-2-yl)methanone

[8-(cyclopropylmethyl)-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(oxazinan-2-yl)methanone (PubChem CID 133139786) has the molecular formula C16H27N3O5S and a molecular weight of 373.48 g/mol. Its IUPAC name is [8-(cyclopropylmethyl)-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(oxazinan-2-yl)methanone.

Molecular Properties

Compound Name[8-(cyclopropylmethyl)-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(oxazinan-2-yl)methanone
PubChem CID133139786
Molecular FormulaC16H27N3O5S
Molecular Weight373.48 g/mol
Exact Mass373.17
IUPAC Name[8-(cyclopropylmethyl)-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(oxazinan-2-yl)methanone
SMILESCS(=O)(=O)N1CC2(CN(CC3CC3)C(C(=O)N3CCCCO3)CO2)C1
InChIInChI=1S/C16H27N3O5S/c1-25(21,22)18-11-16(12-18)10-17(8-13-4-5-13)14(9-23-16)15(20)19-6-2-3-7-24-19/h13-14H,2-12H2,1H3
InChIKeyVRAMSARMTBFFEZ-UHFFFAOYSA-N
XLogP-0.33
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[8-(cyclopropylmethyl)-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-morpholin-4-ylmethanone
CID 131641016
[(7R)-8-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(1,2-oxazolidin-2-yl)methanone
CID 124791278
[8-(cyclopropylmethyl)-2-(3-hydroxybenzoyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(oxazinan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155868816
cyclobutyl-[8-methyl-7-(oxazinane-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methanone
CID 131693180
2-(cyclopentylmethyl)-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131677325
1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]ethanone
CID 79610693
[8-methyl-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(oxazinan-2-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 155832141
1-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethanone
CID 63845675
1-[1-(cyclohexylmethyl)piperidin-2-yl]ethanone
CID 63844288
2-butanoyl-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131693582
2-(cyclopentene-1-carbonyl)-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131663319
4-(cyclohexylmethyl)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 155875510

Frequently Asked Questions

What is the IUPAC name of [8-(cyclopropylmethyl)-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(oxazinan-2-yl)methanone?
The IUPAC name of [8-(cyclopropylmethyl)-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(oxazinan-2-yl)methanone (CID 133139786) is [8-(cyclopropylmethyl)-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(oxazinan-2-yl)methanone.
What is the SMILES notation for [8-(cyclopropylmethyl)-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(oxazinan-2-yl)methanone?
The canonical SMILES for [8-(cyclopropylmethyl)-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(oxazinan-2-yl)methanone is CS(=O)(=O)N1CC2(CN(CC3CC3)C(C(=O)N3CCCCO3)CO2)C1.
What is the InChIKey of [8-(cyclopropylmethyl)-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(oxazinan-2-yl)methanone?
The InChIKey is VRAMSARMTBFFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O5S/c1-25(21,22)18-11-16(12-18)10-17(8-13-4-5-13)14(9-23-16)15(20)19-6-2-3-7-24-19/h13-14H,2-12H2,1H3.
What are the key properties of [8-(cyclopropylmethyl)-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(oxazinan-2-yl)methanone?
[8-(cyclopropylmethyl)-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(oxazinan-2-yl)methanone has a molecular weight of 373.48 g/mol, XLogP of -0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(cyclopropylmethyl)-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(oxazinan-2-yl)methanone is sourced from PubChem (CID 133139786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).