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

C18H32N2O3S — CID 131641017

IUPAC3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCC2(CC1)CC(COCC1CC1)N(CC1CC1)C2
InChIInChI=1S/C18H32N2O3S/c1-24(21,22)20-8-6-18(7-9-20)10-17(13-23-12-16-4-5-16)19(14-18)11-15-2-3-15/h15-17H,2-14H2,1H3
InChIKeyHPMGAAVYTNPRMY-UHFFFAOYSA-N
MW356.53 g/mol
LogP1.94
Rot. Bonds7

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

3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane (PubChem CID 131641017) has the molecular formula C18H32N2O3S and a molecular weight of 356.53 g/mol. Its IUPAC name is 3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane
PubChem CID131641017
Molecular FormulaC18H32N2O3S
Molecular Weight356.53 g/mol
Exact Mass356.21
IUPAC Name3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCC2(CC1)CC(COCC1CC1)N(CC1CC1)C2
InChIInChI=1S/C18H32N2O3S/c1-24(21,22)20-8-6-18(7-9-20)10-17(13-23-12-16-4-5-16)19(14-18)11-15-2-3-15/h15-17H,2-14H2,1H3
InChIKeyHPMGAAVYTNPRMY-UHFFFAOYSA-N
XLogP1.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.53
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane (CID 131641017) is 3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane is CS(=O)(=O)N1CCC2(CC1)CC(COCC1CC1)N(CC1CC1)C2.
What is the InChIKey of 3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The InChIKey is HPMGAAVYTNPRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3S/c1-24(21,22)20-8-6-18(7-9-20)10-17(13-23-12-16-4-5-16)19(14-18)11-15-2-3-15/h15-17H,2-14H2,1H3.
What are the key properties of 3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane?
3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane has a molecular weight of 356.53 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 131641017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).