1-(1-oxaspiro[4.5]decan-2-ylmethylsulfonyl)butan-2-amine

C14H27NO3S — CID 102903010

IUPAC1-(1-oxaspiro[4.5]decan-2-ylmethylsulfonyl)butan-2-amine
SMILESCCC(N)CS(=O)(=O)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H27NO3S/c1-2-12(15)10-19(16,17)11-13-6-9-14(18-13)7-4-3-5-8-14/h12-13H,2-11,15H2,1H3
InChIKeyLUPODJAAADCZOB-UHFFFAOYSA-N
MW289.44 g/mol
LogP2.02
Rot. Bonds5

About 1-(1-oxaspiro[4.5]decan-2-ylmethylsulfonyl)butan-2-amine

1-(1-oxaspiro[4.5]decan-2-ylmethylsulfonyl)butan-2-amine (PubChem CID 102903010) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-(1-oxaspiro[4.5]decan-2-ylmethylsulfonyl)butan-2-amine.

Molecular Properties

Compound Name1-(1-oxaspiro[4.5]decan-2-ylmethylsulfonyl)butan-2-amine
PubChem CID102903010
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC Name1-(1-oxaspiro[4.5]decan-2-ylmethylsulfonyl)butan-2-amine
SMILESCCC(N)CS(=O)(=O)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H27NO3S/c1-2-12(15)10-19(16,17)11-13-6-9-14(18-13)7-4-3-5-8-14/h12-13H,2-11,15H2,1H3
InChIKeyLUPODJAAADCZOB-UHFFFAOYSA-N
XLogP2.02
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfonyl)propan-1-amine
CID 102903038
1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrol-3-yl]butan-2-amine
CID 102900728
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
(2R)-2-amino-3-(1-oxaspiro[4.5]decan-2-yl)propanoic acid
CID 106702778
2-(3-bromopentyl)-1-oxaspiro[4.5]decane
CID 102899931
2-butyl-1-oxaspiro[4.5]decane
CID 154513555
5-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)hexan-3-amine
CID 102899087
diethyl 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)propanedioate
CID 102899337
1-methyl-4-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methylsulfonyl]pyrazole
CID 125461927
2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)cyclopentan-1-amine
CID 102898902
2-[butan-2-yl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid
CID 102899153
3-methoxy-1-N-methyl-1-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine
CID 102900998

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[4.5]decan-2-ylmethylsulfonyl)butan-2-amine?
The IUPAC name of 1-(1-oxaspiro[4.5]decan-2-ylmethylsulfonyl)butan-2-amine (CID 102903010) is 1-(1-oxaspiro[4.5]decan-2-ylmethylsulfonyl)butan-2-amine.
What is the SMILES notation for 1-(1-oxaspiro[4.5]decan-2-ylmethylsulfonyl)butan-2-amine?
The canonical SMILES for 1-(1-oxaspiro[4.5]decan-2-ylmethylsulfonyl)butan-2-amine is CCC(N)CS(=O)(=O)CC1CCC2(CCCCC2)O1.
What is the InChIKey of 1-(1-oxaspiro[4.5]decan-2-ylmethylsulfonyl)butan-2-amine?
The InChIKey is LUPODJAAADCZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-2-12(15)10-19(16,17)11-13-6-9-14(18-13)7-4-3-5-8-14/h12-13H,2-11,15H2,1H3.
What are the key properties of 1-(1-oxaspiro[4.5]decan-2-ylmethylsulfonyl)butan-2-amine?
1-(1-oxaspiro[4.5]decan-2-ylmethylsulfonyl)butan-2-amine has a molecular weight of 289.44 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[4.5]decan-2-ylmethylsulfonyl)butan-2-amine is sourced from PubChem (CID 102903010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).