3-(8-azaspiro[4.5]decan-8-ylsulfonyl)propan-1-amine

C12H24N2O2S — CID 63159425

IUPAC3-(8-azaspiro[4.5]decan-8-ylsulfonyl)propan-1-amine
SMILESNCCCS(=O)(=O)N1CCC2(CCCC2)CC1
InChIInChI=1S/C12H24N2O2S/c13-8-3-11-17(15,16)14-9-6-12(7-10-14)4-1-2-5-12/h1-11,13H2
InChIKeyNGQZOSYEKBAZFD-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.32
Rot. Bonds4

About 3-(8-azaspiro[4.5]decan-8-ylsulfonyl)propan-1-amine

3-(8-azaspiro[4.5]decan-8-ylsulfonyl)propan-1-amine (PubChem CID 63159425) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 3-(8-azaspiro[4.5]decan-8-ylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name3-(8-azaspiro[4.5]decan-8-ylsulfonyl)propan-1-amine
PubChem CID63159425
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name3-(8-azaspiro[4.5]decan-8-ylsulfonyl)propan-1-amine
SMILESNCCCS(=O)(=O)N1CCC2(CCCC2)CC1
InChIInChI=1S/C12H24N2O2S/c13-8-3-11-17(15,16)14-9-6-12(7-10-14)4-1-2-5-12/h1-11,13H2
InChIKeyNGQZOSYEKBAZFD-UHFFFAOYSA-N
XLogP1.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(8-azaspiro[4.5]decan-8-ylsulfonyl)propan-1-amine?
The IUPAC name of 3-(8-azaspiro[4.5]decan-8-ylsulfonyl)propan-1-amine (CID 63159425) is 3-(8-azaspiro[4.5]decan-8-ylsulfonyl)propan-1-amine.
What is the SMILES notation for 3-(8-azaspiro[4.5]decan-8-ylsulfonyl)propan-1-amine?
The canonical SMILES for 3-(8-azaspiro[4.5]decan-8-ylsulfonyl)propan-1-amine is NCCCS(=O)(=O)N1CCC2(CCCC2)CC1.
What is the InChIKey of 3-(8-azaspiro[4.5]decan-8-ylsulfonyl)propan-1-amine?
The InChIKey is NGQZOSYEKBAZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c13-8-3-11-17(15,16)14-9-6-12(7-10-14)4-1-2-5-12/h1-11,13H2.
What are the key properties of 3-(8-azaspiro[4.5]decan-8-ylsulfonyl)propan-1-amine?
3-(8-azaspiro[4.5]decan-8-ylsulfonyl)propan-1-amine has a molecular weight of 260.40 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-azaspiro[4.5]decan-8-ylsulfonyl)propan-1-amine is sourced from PubChem (CID 63159425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).