cyclopent-3-en-1-yl-[(3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone

C17H28N2O4S — CID 97474688

IUPACcyclopent-3-en-1-yl-[(3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCOC[C@@H]1CC2(CCN(C(=O)C3CC=CC3)CC2)CN1S(C)(=O)=O
InChIInChI=1S/C17H28N2O4S/c1-23-12-15-11-17(13-19(15)24(2,21)22)7-9-18(10-8-17)16(20)14-5-3-4-6-14/h3-4,14-15H,5-13H2,1-2H3/t15-/m0/s1
InChIKeyHOMTZRBLESVZKR-HNNXBMFYSA-N
MW356.49 g/mol
LogP1.24
Rot. Bonds4

About cyclopent-3-en-1-yl-[(3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone

cyclopent-3-en-1-yl-[(3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 97474688) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[(3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[(3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
PubChem CID97474688
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC Namecyclopent-3-en-1-yl-[(3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCOC[C@@H]1CC2(CCN(C(=O)C3CC=CC3)CC2)CN1S(C)(=O)=O
InChIInChI=1S/C17H28N2O4S/c1-23-12-15-11-17(13-19(15)24(2,21)22)7-9-18(10-8-17)16(20)14-5-3-4-6-14/h3-4,14-15H,5-13H2,1-2H3/t15-/m0/s1
InChIKeyHOMTZRBLESVZKR-HNNXBMFYSA-N
XLogP1.24
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-(1,2-oxazol-4-yl)methanone
CID 133139434
1-[3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-3-pyrimidin-5-ylpropan-1-one
CID 131681938
(3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 97475664
(3R)-8-benzyl-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 97487642
N-[7-(cyclopent-3-ene-1-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98897154
(3R)-3-(methoxymethyl)-8-[(5-methylfuran-2-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 97476754
8-(furan-3-ylmethyl)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155846044
1-[8-(cyclopent-3-ene-1-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 91922119
cyclopent-3-en-1-yl-[(4R,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]methanone
CID 97482154
[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
CID 131684868
[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methyl-2-pyridinyl)methanone
CID 131663252
cyclopent-3-en-1-yl-[(4R)-4-(methoxymethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 124789157

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[(3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[(3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone (CID 97474688) is cyclopent-3-en-1-yl-[(3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[(3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[(3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone is COC[C@@H]1CC2(CCN(C(=O)C3CC=CC3)CC2)CN1S(C)(=O)=O.
What is the InChIKey of cyclopent-3-en-1-yl-[(3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The InChIKey is HOMTZRBLESVZKR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-23-12-15-11-17(13-19(15)24(2,21)22)7-9-18(10-8-17)16(20)14-5-3-4-6-14/h3-4,14-15H,5-13H2,1-2H3/t15-/m0/s1.
What are the key properties of cyclopent-3-en-1-yl-[(3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
cyclopent-3-en-1-yl-[(3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 356.49 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[(3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 97474688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).