1-methylsulfonyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine

C14H27NO3S — CID 102897361

IUPAC1-methylsulfonyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine
SMILESCC(CS(C)(=O)=O)NCC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H27NO3S/c1-12(11-19(2,16)17)15-10-13-6-9-14(18-13)7-4-3-5-8-14/h12-13,15H,3-11H2,1-2H3
InChIKeyAEZPZJXQRYNQDA-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.89
Rot. Bonds5

About 1-methylsulfonyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine

1-methylsulfonyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine (PubChem CID 102897361) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine
PubChem CID102897361
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC Name1-methylsulfonyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine
SMILESCC(CS(C)(=O)=O)NCC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H27NO3S/c1-12(11-19(2,16)17)15-10-13-6-9-14(18-13)7-4-3-5-8-14/h12-13,15H,3-11H2,1-2H3
InChIKeyAEZPZJXQRYNQDA-UHFFFAOYSA-N
XLogP1.89
TPSA55.40 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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine?
The IUPAC name of 1-methylsulfonyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine (CID 102897361) is 1-methylsulfonyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-methylsulfonyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine?
The canonical SMILES for 1-methylsulfonyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine is CC(CS(C)(=O)=O)NCC1CCC2(CCCCC2)O1.
What is the InChIKey of 1-methylsulfonyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine?
The InChIKey is AEZPZJXQRYNQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-12(11-19(2,16)17)15-10-13-6-9-14(18-13)7-4-3-5-8-14/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 1-methylsulfonyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine?
1-methylsulfonyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine has a molecular weight of 289.44 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 102897361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).