(1R,5S)-3-(1H-pyrazol-4-ylsulfonyl)-3-azabicyclo[3.2.1]octane

C10H15N3O2S — CID 131898755

IUPAC(1R,5S)-3-(1H-pyrazol-4-ylsulfonyl)-3-azabicyclo[3.2.1]octane
SMILESO=S(=O)(c1cn[nH]c1)N1C[C@@H]2CC[C@@H](C2)C1
InChIInChI=1S/C10H15N3O2S/c14-16(15,10-4-11-12-5-10)13-6-8-1-2-9(3-8)7-13/h4-5,8-9H,1-3,6-7H2,(H,11,12)/t8-,9+
InChIKeyOLUVHEOABWPPCI-DTORHVGOSA-N
MW241.32 g/mol
LogP0.83
Rot. Bonds2

About (1R,5S)-3-(1H-pyrazol-4-ylsulfonyl)-3-azabicyclo[3.2.1]octane

(1R,5S)-3-(1H-pyrazol-4-ylsulfonyl)-3-azabicyclo[3.2.1]octane (PubChem CID 131898755) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is (1R,5S)-3-(1H-pyrazol-4-ylsulfonyl)-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-3-(1H-pyrazol-4-ylsulfonyl)-3-azabicyclo[3.2.1]octane
PubChem CID131898755
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name(1R,5S)-3-(1H-pyrazol-4-ylsulfonyl)-3-azabicyclo[3.2.1]octane
SMILESO=S(=O)(c1cn[nH]c1)N1C[C@@H]2CC[C@@H](C2)C1
InChIInChI=1S/C10H15N3O2S/c14-16(15,10-4-11-12-5-10)13-6-8-1-2-9(3-8)7-13/h4-5,8-9H,1-3,6-7H2,(H,11,12)/t8-,9+
InChIKeyOLUVHEOABWPPCI-DTORHVGOSA-N
XLogP0.83
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-(1H-pyrazol-4-ylsulfonyl)-3-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-3-(1H-pyrazol-4-ylsulfonyl)-3-azabicyclo[3.2.1]octane (CID 131898755) is (1R,5S)-3-(1H-pyrazol-4-ylsulfonyl)-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-3-(1H-pyrazol-4-ylsulfonyl)-3-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-3-(1H-pyrazol-4-ylsulfonyl)-3-azabicyclo[3.2.1]octane is O=S(=O)(c1cn[nH]c1)N1C[C@@H]2CC[C@@H](C2)C1.
What is the InChIKey of (1R,5S)-3-(1H-pyrazol-4-ylsulfonyl)-3-azabicyclo[3.2.1]octane?
The InChIKey is OLUVHEOABWPPCI-DTORHVGOSA-N. The full InChI is InChI=1S/C10H15N3O2S/c14-16(15,10-4-11-12-5-10)13-6-8-1-2-9(3-8)7-13/h4-5,8-9H,1-3,6-7H2,(H,11,12)/t8-,9+.
What are the key properties of (1R,5S)-3-(1H-pyrazol-4-ylsulfonyl)-3-azabicyclo[3.2.1]octane?
(1R,5S)-3-(1H-pyrazol-4-ylsulfonyl)-3-azabicyclo[3.2.1]octane has a molecular weight of 241.32 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-(1H-pyrazol-4-ylsulfonyl)-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 131898755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).