2-ethylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

C12H24N2O3S — CID 110197861

IUPAC2-ethylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCCS(=O)(=O)N1CC(COC)C2(CCNCC2)C1
InChIInChI=1S/C12H24N2O3S/c1-3-18(15,16)14-8-11(9-17-2)12(10-14)4-6-13-7-5-12/h11,13H,3-10H2,1-2H3
InChIKeyUYQZXALYWOWVKW-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.28
Rot. Bonds4

About 2-ethylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

2-ethylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 110197861) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-ethylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-ethylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
PubChem CID110197861
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name2-ethylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCCS(=O)(=O)N1CC(COC)C2(CCNCC2)C1
InChIInChI=1S/C12H24N2O3S/c1-3-18(15,16)14-8-11(9-17-2)12(10-14)4-6-13-7-5-12/h11,13H,3-10H2,1-2H3
InChIKeyUYQZXALYWOWVKW-UHFFFAOYSA-N
XLogP0.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-1-(2-propylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine
CID 87053400
N,N-dimethyl-1-(2-propan-2-ylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine
CID 87053407
N-{[2-(ethylsulfonyl)-8-oxa-2-azaspiro[4.5]dec-4-yl]methyl}-N,N-dimethylamine
CID 91653918
4-(Methoxymethyl)-2,8-diazaspiro[4.5]dec-2-yl propyl sulfone
CID 91922028
4-(Methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]dec-8-yl propyl sulfone
CID 91922097
1-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide
CID 156624820
1-[(4S)-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide
CID 156624842
N-(oxolan-3-ylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 55119441
N-methyl-N-(oxan-3-ylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 55225492
N-methyl-N-(oxan-3-ylmethyl)-1-piperidin-4-ylmethanesulfonamide
CID 55225493
2-(ethylamino)-N-methyl-N-(oxan-3-ylmethyl)ethanesulfonamide
CID 55225682
N-(oxolan-3-ylmethyl)-2-piperidin-4-ylethanesulfonamide
CID 62822942

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-ethylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (CID 110197861) is 2-ethylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-ethylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-ethylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is CCS(=O)(=O)N1CC(COC)C2(CCNCC2)C1.
What is the InChIKey of 2-ethylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is UYQZXALYWOWVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-3-18(15,16)14-8-11(9-17-2)12(10-14)4-6-13-7-5-12/h11,13H,3-10H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
2-ethylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 276.40 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 110197861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).