3-(cyclopropylmethoxymethyl)-2-methyl-8-methylsulfonyl-2,8-diazaspiro[4.5]decane

C15H28N2O3S — CID 131642473

IUPAC3-(cyclopropylmethoxymethyl)-2-methyl-8-methylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCN1CC2(CCN(S(C)(=O)=O)CC2)CC1COCC1CC1
InChIInChI=1S/C15H28N2O3S/c1-16-12-15(5-7-17(8-6-15)21(2,18)19)9-14(16)11-20-10-13-3-4-13/h13-14H,3-12H2,1-2H3
InChIKeyUMTUUMHAFGTGJF-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.16
Rot. Bonds5

About 3-(cyclopropylmethoxymethyl)-2-methyl-8-methylsulfonyl-2,8-diazaspiro[4.5]decane

3-(cyclopropylmethoxymethyl)-2-methyl-8-methylsulfonyl-2,8-diazaspiro[4.5]decane (PubChem CID 131642473) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is 3-(cyclopropylmethoxymethyl)-2-methyl-8-methylsulfonyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name3-(cyclopropylmethoxymethyl)-2-methyl-8-methylsulfonyl-2,8-diazaspiro[4.5]decane
PubChem CID131642473
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name3-(cyclopropylmethoxymethyl)-2-methyl-8-methylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCN1CC2(CCN(S(C)(=O)=O)CC2)CC1COCC1CC1
InChIInChI=1S/C15H28N2O3S/c1-16-12-15(5-7-17(8-6-15)21(2,18)19)9-14(16)11-20-10-13-3-4-13/h13-14H,3-12H2,1-2H3
InChIKeyUMTUUMHAFGTGJF-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

[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone
CID 97475215
[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methylphenyl)methanone
CID 131652864
[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone
CID 133142265
3-[[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole
CID 97474559
[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-3-pyridinyl)methanone
CID 131639800
[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone
CID 97486240
(5S,9R)-9-(cyclopropylmethoxymethyl)-2-cyclopropylsulfonyl-7-methyl-2,7-diazaspiro[4.4]nonane
CID 124814820
(2S)-2-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide
CID 97476059
[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid
CID 171692418
1-(cyclopropylmethyl)-2-(methoxymethyl)-8-methylsulfonyl-1,8-diazaspiro[4.5]decane
CID 131650501
(3R)-3-(methoxymethyl)-2-methyl-8-(3-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 97482562
7-methylsulfonyl-7-azaspiro[3.5]nonane
CID 126998846

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxymethyl)-2-methyl-8-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 3-(cyclopropylmethoxymethyl)-2-methyl-8-methylsulfonyl-2,8-diazaspiro[4.5]decane (CID 131642473) is 3-(cyclopropylmethoxymethyl)-2-methyl-8-methylsulfonyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 3-(cyclopropylmethoxymethyl)-2-methyl-8-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 3-(cyclopropylmethoxymethyl)-2-methyl-8-methylsulfonyl-2,8-diazaspiro[4.5]decane is CN1CC2(CCN(S(C)(=O)=O)CC2)CC1COCC1CC1.
What is the InChIKey of 3-(cyclopropylmethoxymethyl)-2-methyl-8-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The InChIKey is UMTUUMHAFGTGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-16-12-15(5-7-17(8-6-15)21(2,18)19)9-14(16)11-20-10-13-3-4-13/h13-14H,3-12H2,1-2H3.
What are the key properties of 3-(cyclopropylmethoxymethyl)-2-methyl-8-methylsulfonyl-2,8-diazaspiro[4.5]decane?
3-(cyclopropylmethoxymethyl)-2-methyl-8-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 3-(cyclopropylmethoxymethyl)-2-methyl-8-methylsulfonyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 131642473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).