[8-(cyclopropylmethyl)-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-morpholin-4-ylmethanone

C16H27N3O5S — CID 131641016

IUPAC[8-(cyclopropylmethyl)-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-morpholin-4-ylmethanone
SMILESCS(=O)(=O)N1CC2(CN(CC3CC3)C(C(=O)N3CCOCC3)CO2)C1
InChIInChI=1S/C16H27N3O5S/c1-25(21,22)19-11-16(12-19)10-18(8-13-2-3-13)14(9-24-16)15(20)17-4-6-23-7-5-17/h13-14H,2-12H2,1H3
InChIKeyYXTOPLFMQAXUPM-UHFFFAOYSA-N
MW373.48 g/mol
LogP-1.03
Rot. Bonds4

About [8-(cyclopropylmethyl)-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-morpholin-4-ylmethanone

[8-(cyclopropylmethyl)-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-morpholin-4-ylmethanone (PubChem CID 131641016) 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]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[8-(cyclopropylmethyl)-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-morpholin-4-ylmethanone
PubChem CID131641016
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]-morpholin-4-ylmethanone
SMILESCS(=O)(=O)N1CC2(CN(CC3CC3)C(C(=O)N3CCOCC3)CO2)C1
InChIInChI=1S/C16H27N3O5S/c1-25(21,22)19-11-16(12-19)10-18(8-13-2-3-13)14(9-24-16)15(20)17-4-6-23-7-5-17/h13-14H,2-12H2,1H3
InChIKeyYXTOPLFMQAXUPM-UHFFFAOYSA-N
XLogP-1.03
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 ≤ 5-1.03
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]-(oxazinan-2-yl)methanone
CID 133139786
2-butanoyl-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131693582
[(5R,9R)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 98896559
2-(cyclopentylmethyl)-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131677325
1-[(6R)-4-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97373186
4-(cyclohexylmethyl)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 155875510
(7S)-8-(cyclopropylmethyl)-N-methyl-2-(pyridazine-4-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124799177
morpholin-4-yl-[(2S)-1-[[(2R)-oxiran-2-yl]methyl]pyrrolidin-2-yl]methanone
CID 97181537
(1-ethylpiperidin-2-yl)-morpholin-4-ylmethanone
CID 142202703
(7R)-8-(cyclopropylmethyl)-N-methyl-2-(5-methylpyridine-3-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124913569
[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
[(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

Frequently Asked Questions

What is the IUPAC name of [8-(cyclopropylmethyl)-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-morpholin-4-ylmethanone?
The IUPAC name of [8-(cyclopropylmethyl)-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-morpholin-4-ylmethanone (CID 131641016) is [8-(cyclopropylmethyl)-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [8-(cyclopropylmethyl)-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [8-(cyclopropylmethyl)-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-morpholin-4-ylmethanone is CS(=O)(=O)N1CC2(CN(CC3CC3)C(C(=O)N3CCOCC3)CO2)C1.
What is the InChIKey of [8-(cyclopropylmethyl)-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-morpholin-4-ylmethanone?
The InChIKey is YXTOPLFMQAXUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O5S/c1-25(21,22)19-11-16(12-19)10-18(8-13-2-3-13)14(9-24-16)15(20)17-4-6-23-7-5-17/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]-morpholin-4-ylmethanone?
[8-(cyclopropylmethyl)-2-methylsulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-morpholin-4-ylmethanone has a molecular weight of 373.48 g/mol, XLogP of -1.03, 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]-morpholin-4-ylmethanone is sourced from PubChem (CID 131641016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).