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

C16H30N2O3S — CID 131656818

IUPAC3-(cyclopropylmethoxymethyl)-8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCCS(=O)(=O)N1CCC2(CC1)CC(COCC1CC1)N(C)C2
InChIInChI=1S/C16H30N2O3S/c1-3-22(19,20)18-8-6-16(7-9-18)10-15(17(2)13-16)12-21-11-14-4-5-14/h14-15H,3-13H2,1-2H3
InChIKeyBNJHCULDEXUSIX-UHFFFAOYSA-N
MW330.49 g/mol
LogP1.55
Rot. Bonds6

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

3-(cyclopropylmethoxymethyl)-8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decane (PubChem CID 131656818) has the molecular formula C16H30N2O3S and a molecular weight of 330.49 g/mol. Its IUPAC name is 3-(cyclopropylmethoxymethyl)-8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name3-(cyclopropylmethoxymethyl)-8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decane
PubChem CID131656818
Molecular FormulaC16H30N2O3S
Molecular Weight330.49 g/mol
Exact Mass330.20
IUPAC Name3-(cyclopropylmethoxymethyl)-8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCCS(=O)(=O)N1CCC2(CC1)CC(COCC1CC1)N(C)C2
InChIInChI=1S/C16H30N2O3S/c1-3-22(19,20)18-8-6-16(7-9-18)10-15(17(2)13-16)12-21-11-14-4-5-14/h14-15H,3-13H2,1-2H3
InChIKeyBNJHCULDEXUSIX-UHFFFAOYSA-N
XLogP1.55
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Cyclopropylmethoxymethyl)-8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155845735
3-(Cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 131641017
3-(Cyclopropylmethoxymethyl)-2-methyl-8-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 131642473
3-(Cyclopropylmethoxymethyl)-8-ethylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 131647180
8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 131661979
(3R)-8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371296
(3S)-8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371297
(3R)-3-(methoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 97375033
(3S)-3-(methoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 97375034
(3R)-8-cyclopropylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 97375035
(3S)-8-cyclopropylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 97375036
(3R)-8-butylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 97399630

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxymethyl)-8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 3-(cyclopropylmethoxymethyl)-8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decane (CID 131656818) is 3-(cyclopropylmethoxymethyl)-8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 3-(cyclopropylmethoxymethyl)-8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 3-(cyclopropylmethoxymethyl)-8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decane is CCS(=O)(=O)N1CCC2(CC1)CC(COCC1CC1)N(C)C2.
What is the InChIKey of 3-(cyclopropylmethoxymethyl)-8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decane?
The InChIKey is BNJHCULDEXUSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3S/c1-3-22(19,20)18-8-6-16(7-9-18)10-15(17(2)13-16)12-21-11-14-4-5-14/h14-15H,3-13H2,1-2H3.
What are the key properties of 3-(cyclopropylmethoxymethyl)-8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decane?
3-(cyclopropylmethoxymethyl)-8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decane has a molecular weight of 330.49 g/mol, XLogP of 1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxymethyl)-8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 131656818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).