1-methylsulfonyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-amine

C15H28N2O3S — CID 102896872

IUPAC1-methylsulfonyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCC2CCC3(CCCC3)O2)CC1
InChIInChI=1S/C15H28N2O3S/c1-21(18,19)17-10-5-13(6-11-17)16-12-14-4-9-15(20-14)7-2-3-8-15/h13-14,16H,2-12H2,1H3
InChIKeyUXNWIFCKUPGPAX-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.49
Rot. Bonds4

About 1-methylsulfonyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-amine

1-methylsulfonyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-amine (PubChem CID 102896872) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-amine
PubChem CID102896872
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name1-methylsulfonyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCC2CCC3(CCCC3)O2)CC1
InChIInChI=1S/C15H28N2O3S/c1-21(18,19)17-10-5-13(6-11-17)16-12-14-4-9-15(20-14)7-2-3-8-15/h13-14,16H,2-12H2,1H3
InChIKeyUXNWIFCKUPGPAX-UHFFFAOYSA-N
XLogP1.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.49
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[4.4]nonan-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-methylsulfonyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-amine (CID 102896872) is 1-methylsulfonyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-methylsulfonyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-methylsulfonyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-amine is CS(=O)(=O)N1CCC(NCC2CCC3(CCCC3)O2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-amine?
The InChIKey is UXNWIFCKUPGPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-21(18,19)17-10-5-13(6-11-17)16-12-14-4-9-15(20-14)7-2-3-8-15/h13-14,16H,2-12H2,1H3.
What are the key properties of 1-methylsulfonyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-amine?
1-methylsulfonyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-amine has a molecular weight of 316.47 g/mol, XLogP of 1.49, 4 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[4.4]nonan-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 102896872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).