(3R)-3-(methoxymethyl)-2-methyl-8-(3-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane

C18H28N2O3S — CID 97482562

IUPAC(3R)-3-(methoxymethyl)-2-methyl-8-(3-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane
SMILESCOC[C@H]1CC2(CCN(S(=O)(=O)c3cccc(C)c3)CC2)CN1C
InChIInChI=1S/C18H28N2O3S/c1-15-5-4-6-17(11-15)24(21,22)20-9-7-18(8-10-20)12-16(13-23-3)19(2)14-18/h4-6,11,16H,7-10,12-14H2,1-3H3/t16-/m1/s1
InChIKeyKEHZWUWBOMZFPA-MRXNPFEDSA-N
MW352.50 g/mol
LogP2.12
Rot. Bonds4

About (3R)-3-(methoxymethyl)-2-methyl-8-(3-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane

(3R)-3-(methoxymethyl)-2-methyl-8-(3-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane (PubChem CID 97482562) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is (3R)-3-(methoxymethyl)-2-methyl-8-(3-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-3-(methoxymethyl)-2-methyl-8-(3-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane
PubChem CID97482562
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name(3R)-3-(methoxymethyl)-2-methyl-8-(3-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane
SMILESCOC[C@H]1CC2(CCN(S(=O)(=O)c3cccc(C)c3)CC2)CN1C
InChIInChI=1S/C18H28N2O3S/c1-15-5-4-6-17(11-15)24(21,22)20-9-7-18(8-10-20)12-16(13-23-3)19(2)14-18/h4-6,11,16H,7-10,12-14H2,1-3H3/t16-/m1/s1
InChIKeyKEHZWUWBOMZFPA-MRXNPFEDSA-N
XLogP2.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methoxymethyl)-2-methyl-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane
CID 131648490
(3R)-3-(methoxymethyl)-8-(3-methylphenyl)sulfonyl-2-oxa-8-azaspiro[4.5]decane
CID 97473995
(3S)-3-methoxy-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
CID 97450738
[3-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 120777216
4-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 63125722
[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methyl-2-pyridinyl)methanone
CID 131663252
4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine
CID 121187182
methyl 1-(3-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 43404909
2-[1-methyl-4-(3-methylphenyl)sulfonylpiperazin-2-yl]ethanol
CID 131900399
[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62370440
1-(cyclopropylmethyl)-4-(3-methylphenyl)sulfonylpiperazine
CID 110708713
(4-fluoro-2-methylphenyl)-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97476426

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methoxymethyl)-2-methyl-8-(3-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of (3R)-3-(methoxymethyl)-2-methyl-8-(3-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane (CID 97482562) is (3R)-3-(methoxymethyl)-2-methyl-8-(3-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for (3R)-3-(methoxymethyl)-2-methyl-8-(3-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for (3R)-3-(methoxymethyl)-2-methyl-8-(3-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane is COC[C@H]1CC2(CCN(S(=O)(=O)c3cccc(C)c3)CC2)CN1C.
What is the InChIKey of (3R)-3-(methoxymethyl)-2-methyl-8-(3-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane?
The InChIKey is KEHZWUWBOMZFPA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-15-5-4-6-17(11-15)24(21,22)20-9-7-18(8-10-20)12-16(13-23-3)19(2)14-18/h4-6,11,16H,7-10,12-14H2,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-3-(methoxymethyl)-2-methyl-8-(3-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane?
(3R)-3-(methoxymethyl)-2-methyl-8-(3-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane has a molecular weight of 352.50 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methoxymethyl)-2-methyl-8-(3-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97482562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).