(1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octane-3-sulfonamide

C10H19N3O2S — CID 137403102

IUPAC(1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octane-3-sulfonamide
SMILESNS(=O)(=O)C1C[C@H]2CC[C@@H](C1)N2C1CNC1
InChIInChI=1S/C10H19N3O2S/c11-16(14,15)10-3-7-1-2-8(4-10)13(7)9-5-12-6-9/h7-10,12H,1-6H2,(H2,11,14,15)/t7-,8+,10?
InChIKeyZGYBQJRKXTVCFR-JWHQNHQBSA-N
MW245.35 g/mol
LogP-0.76
Rot. Bonds2

About (1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octane-3-sulfonamide

(1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octane-3-sulfonamide (PubChem CID 137403102) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is (1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octane-3-sulfonamide.

Molecular Properties

Compound Name(1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octane-3-sulfonamide
PubChem CID137403102
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name(1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octane-3-sulfonamide
SMILESNS(=O)(=O)C1C[C@H]2CC[C@@H](C1)N2C1CNC1
InChIInChI=1S/C10H19N3O2S/c11-16(14,15)10-3-7-1-2-8(4-10)13(7)9-5-12-6-9/h7-10,12H,1-6H2,(H2,11,14,15)/t7-,8+,10?
InChIKeyZGYBQJRKXTVCFR-JWHQNHQBSA-N
XLogP-0.76
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octane-3-sulfonamide
CID 155120899
(5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octane-3-sulfonamide
CID 137402525
(1S,5R)-8-azabicyclo[3.2.1]octane-3-sulfonamide;(1S,5R)-8-ethyl-8-azabicyclo[3.2.1]octane-3-sulfonamide;hydrochloride
CID 157221928
(3S,5S)-5-methylpiperidine-3-sulfonamide
CID 142359349
(3R,5R)-5-hydroxypiperidine-3-sulfonamide
CID 122701880
1-(azetidin-3-yl)piperidine-4-sulfonamide;1-(1-ethylazetidin-3-yl)piperidine-4-sulfonamide;dihydrochloride
CID 159120920
azetidine-3-sulfonamide;1-(oxetan-3-yl)azetidine-3-sulfonamide
CID 159346014
3-(aminosulfonimidoyl)azetidine
CID 164907211
8-pyrrolidin-3-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 65416824
azepane-4-sulfonamide
CID 137380068
cis-(1S,3R)-3-aminocyclopentane-1-sulfonamide
CID 125472370
3,8-diazabicyclo[3.2.1]octan-8-ylphosphane
CID 167294099

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octane-3-sulfonamide?
The IUPAC name of (1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octane-3-sulfonamide (CID 137403102) is (1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octane-3-sulfonamide.
What is the SMILES notation for (1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octane-3-sulfonamide?
The canonical SMILES for (1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octane-3-sulfonamide is NS(=O)(=O)C1C[C@H]2CC[C@@H](C1)N2C1CNC1.
What is the InChIKey of (1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octane-3-sulfonamide?
The InChIKey is ZGYBQJRKXTVCFR-JWHQNHQBSA-N. The full InChI is InChI=1S/C10H19N3O2S/c11-16(14,15)10-3-7-1-2-8(4-10)13(7)9-5-12-6-9/h7-10,12H,1-6H2,(H2,11,14,15)/t7-,8+,10?.
What are the key properties of (1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octane-3-sulfonamide?
(1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octane-3-sulfonamide has a molecular weight of 245.35 g/mol, XLogP of -0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octane-3-sulfonamide is sourced from PubChem (CID 137403102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).