(1R,3S)-3-(2-aminoethoxy)-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonan-1-ol

C15H23N3O4S — CID 72883746

IUPAC(1R,3S)-3-(2-aminoethoxy)-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonan-1-ol
SMILESNCCO[C@H]1C[C@@H](O)C12CCN(S(=O)(=O)c1cccnc1)CC2
InChIInChI=1S/C15H23N3O4S/c16-5-9-22-14-10-13(19)15(14)3-7-18(8-4-15)23(20,21)12-2-1-6-17-11-12/h1-2,6,11,13-14,19H,3-5,7-10,16H2/t13-,14+/m1/s1
InChIKeyKVSRYKGDHLNWSH-KGLIPLIRSA-N
MW341.43 g/mol
LogP-0.04
Rot. Bonds5

About (1R,3S)-3-(2-aminoethoxy)-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonan-1-ol

(1R,3S)-3-(2-aminoethoxy)-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonan-1-ol (PubChem CID 72883746) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is (1R,3S)-3-(2-aminoethoxy)-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name(1R,3S)-3-(2-aminoethoxy)-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonan-1-ol
PubChem CID72883746
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name(1R,3S)-3-(2-aminoethoxy)-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonan-1-ol
SMILESNCCO[C@H]1C[C@@H](O)C12CCN(S(=O)(=O)c1cccnc1)CC2
InChIInChI=1S/C15H23N3O4S/c16-5-9-22-14-10-13(19)15(14)3-7-18(8-4-15)23(20,21)12-2-1-6-17-11-12/h1-2,6,11,13-14,19H,3-5,7-10,16H2/t13-,14+/m1/s1
InChIKeyKVSRYKGDHLNWSH-KGLIPLIRSA-N
XLogP-0.04
TPSA105.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-(2-aminoethoxy)-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of (1R,3S)-3-(2-aminoethoxy)-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonan-1-ol (CID 72883746) is (1R,3S)-3-(2-aminoethoxy)-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for (1R,3S)-3-(2-aminoethoxy)-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for (1R,3S)-3-(2-aminoethoxy)-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonan-1-ol is NCCO[C@H]1C[C@@H](O)C12CCN(S(=O)(=O)c1cccnc1)CC2.
What is the InChIKey of (1R,3S)-3-(2-aminoethoxy)-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is KVSRYKGDHLNWSH-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H23N3O4S/c16-5-9-22-14-10-13(19)15(14)3-7-18(8-4-15)23(20,21)12-2-1-6-17-11-12/h1-2,6,11,13-14,19H,3-5,7-10,16H2/t13-,14+/m1/s1.
What are the key properties of (1R,3S)-3-(2-aminoethoxy)-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonan-1-ol?
(1R,3S)-3-(2-aminoethoxy)-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 341.43 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-(2-aminoethoxy)-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 72883746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).