[2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone

C16H25N3O4S — CID 131688880

IUPAC[2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone
SMILESCOCC1CCC2(CCN(C(=O)c3cc[nH]c3)CC2)N1S(C)(=O)=O
InChIInChI=1S/C16H25N3O4S/c1-23-12-14-3-5-16(19(14)24(2,21)22)6-9-18(10-7-16)15(20)13-4-8-17-11-13/h4,8,11,14,17H,3,5-7,9-10,12H2,1-2H3
InChIKeyVVCQSKJLFZNAJB-UHFFFAOYSA-N
MW355.46 g/mol
LogP1.06
Rot. Bonds4

About [2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone

[2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone (PubChem CID 131688880) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is [2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone
PubChem CID131688880
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name[2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone
SMILESCOCC1CCC2(CCN(C(=O)c3cc[nH]c3)CC2)N1S(C)(=O)=O
InChIInChI=1S/C16H25N3O4S/c1-23-12-14-3-5-16(19(14)24(2,21)22)6-9-18(10-7-16)15(20)13-4-8-17-11-13/h4,8,11,14,17H,3,5-7,9-10,12H2,1-2H3
InChIKeyVVCQSKJLFZNAJB-UHFFFAOYSA-N
XLogP1.06
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone
CID 131679633
2-(2,3-difluorophenyl)-1-[2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 131680233
5-(2-methoxyethyl)-2-methyl-1'-(1H-pyrrole-3-carbonyl)spiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1-one
CID 131696241
(2R)-2-(methoxymethyl)-1-methylsulfonyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
CID 97476438
(2S)-2-(methoxymethyl)-1-methylsulfonyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97474957
(1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-(1H-pyrrol-3-yl)methanone
CID 131687718
2-(methoxymethyl)-1-methylsulfonyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 131652945
1,3-benzodioxol-5-yl-[(2R)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97475319
[(3aR,6aR)-1-methylsulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-(1H-pyrrol-3-yl)methanone
CID 131688736
[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone
CID 131687181
1-[(4-methoxyphenyl)methyl]-8-(1H-pyrrole-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131684831
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1H-pyrrol-3-yl)methanone
CID 110691096

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone?
The IUPAC name of [2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone (CID 131688880) is [2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for [2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone is COCC1CCC2(CCN(C(=O)c3cc[nH]c3)CC2)N1S(C)(=O)=O.
What is the InChIKey of [2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone?
The InChIKey is VVCQSKJLFZNAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-23-12-14-3-5-16(19(14)24(2,21)22)6-9-18(10-7-16)15(20)13-4-8-17-11-13/h4,8,11,14,17H,3,5-7,9-10,12H2,1-2H3.
What are the key properties of [2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone?
[2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone has a molecular weight of 355.46 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 131688880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).