(3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane

C11H22N2O3S — CID 97475664

IUPAC(3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCOC[C@@H]1CC2(CCNCC2)CN1S(C)(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-16-8-10-7-11(3-5-12-6-4-11)9-13(10)17(2,14)15/h10,12H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyNDBPKTKSORNJOX-JTQLQIEISA-N
MW262.37 g/mol
LogP0.04
Rot. Bonds3

About (3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane

(3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane (PubChem CID 97475664) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is (3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
PubChem CID97475664
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name(3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCOC[C@@H]1CC2(CCNCC2)CN1S(C)(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-16-8-10-7-11(3-5-12-6-4-11)9-13(10)17(2,14)15/h10,12H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyNDBPKTKSORNJOX-JTQLQIEISA-N
XLogP0.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopent-3-en-1-yl-[(3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97474688
(3R)-8-benzyl-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 97487642
2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 131647203
(3R)-3-(methoxymethyl)-8-[(5-methylfuran-2-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 97476754
2-[3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide
CID 133140526
[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
2-(methoxymethyl)-7-azaspiro[3.5]nonane
CID 155894226
8-(furan-3-ylmethyl)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155846044
2-(2-cyclopropylethylsulfonyl)-3-methyl-2,8-diazaspiro[4.5]decane
CID 128886066
methyl 3-methyl-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 83848926
3-(methoxymethyl)-N,N-dimethyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane-8-sulfonamide
CID 131644894

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of (3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane (CID 97475664) is (3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for (3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for (3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane is COC[C@@H]1CC2(CCNCC2)CN1S(C)(=O)=O.
What is the InChIKey of (3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The InChIKey is NDBPKTKSORNJOX-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-16-8-10-7-11(3-5-12-6-4-11)9-13(10)17(2,14)15/h10,12H,3-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?
(3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane has a molecular weight of 262.37 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97475664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).