8-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane

C15H28N2O3S — CID 174181529

IUPAC8-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCOCC1(CN2CCC3(CC2)CCN(S(C)(=O)=O)C3)CC1
InChIInChI=1S/C15H28N2O3S/c1-20-13-15(3-4-15)11-16-8-5-14(6-9-16)7-10-17(12-14)21(2,18)19/h3-13H2,1-2H3
InChIKeySHKJGEYWNBQLJB-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.16
Rot. Bonds5

About 8-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane

8-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane (PubChem CID 174181529) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is 8-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
PubChem CID174181529
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name8-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCOCC1(CN2CCC3(CC2)CCN(S(C)(=O)=O)C3)CC1
InChIInChI=1S/C15H28N2O3S/c1-20-13-15(3-4-15)11-16-8-5-14(6-9-16)7-10-17(12-14)21(2,18)19/h3-13H2,1-2H3
InChIKeySHKJGEYWNBQLJB-UHFFFAOYSA-N
XLogP1.16
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-methyl-2-methylsulfonyl-2,9-diazaspiro[5.5]undecane
CID 166713434
8a-(methoxymethyl)-2-methylsulfonyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine
CID 164922505
1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
CID 169254871
7-methylsulfonyl-2-thia-7-azaspiro[4.4]nonane
CID 12691872
1-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone
CID 155872480
7-methyl-2-methylsulfonyl-2,7-diazaspiro[3.5]nonane
CID 145315592
7-methylsulfonyl-7-azaspiro[3.5]nonane
CID 126998846
2-[(3,4-difluorophenyl)methyl]-7-methylsulfonyl-2,7-diazaspiro[3.4]octane
CID 155872362
N,N-diethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-amine
CID 178038248
[1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexyl]methanol
CID 63005066
1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methylsulfonylpiperazine
CID 65006785
(5S)-2-benzyl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
CID 3233118

Frequently Asked Questions

What is the IUPAC name of 8-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane (CID 174181529) is 8-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane is COCC1(CN2CCC3(CC2)CCN(S(C)(=O)=O)C3)CC1.
What is the InChIKey of 8-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The InChIKey is SHKJGEYWNBQLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-20-13-15(3-4-15)11-16-8-5-14(6-9-16)7-10-17(12-14)21(2,18)19/h3-13H2,1-2H3.
What are the key properties of 8-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?
8-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane has a molecular weight of 316.47 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 174181529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).