N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroethanesulfonamide

C9H17ClN2O2S — CID 165463594

IUPACN-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroethanesulfonamide
SMILESO=S(=O)(CCCl)NC1CC2CNC(C2)C1
InChIInChI=1S/C9H17ClN2O2S/c10-1-2-15(13,14)12-9-4-7-3-8(5-9)11-6-7/h7-9,11-12H,1-6H2
InChIKeyNCLMNBWEXAYXKB-UHFFFAOYSA-N
MW252.77 g/mol
LogP0.29
Rot. Bonds4

About N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroethanesulfonamide

N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroethanesulfonamide (PubChem CID 165463594) has the molecular formula C9H17ClN2O2S and a molecular weight of 252.77 g/mol. Its IUPAC name is N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroethanesulfonamide.

Molecular Properties

Compound NameN-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroethanesulfonamide
PubChem CID165463594
Molecular FormulaC9H17ClN2O2S
Molecular Weight252.77 g/mol
Exact Mass252.07
IUPAC NameN-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroethanesulfonamide
SMILESO=S(=O)(CCCl)NC1CC2CNC(C2)C1
InChIInChI=1S/C9H17ClN2O2S/c10-1-2-15(13,14)12-9-4-7-3-8(5-9)11-6-7/h7-9,11-12H,1-6H2
InChIKeyNCLMNBWEXAYXKB-UHFFFAOYSA-N
XLogP0.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide;hydrochloride
CID 120723553
N-{6-azabicyclo[3.2.1]octan-3-yl}ethane-1-sulfonamide
CID 165463570
N-{6-azabicyclo[3.2.1]octan-3-yl}propane-2-sulfonamide
CID 165463571
6-(Ethanesulfonyl)-6-azabicyclo[3.2.1]octan-3-amine
CID 165463572
6-Chloromethanesulfonyl-6-azabicyclo[3.2.1]octan-3-amine
CID 165469060
N-{6-azabicyclo[3.2.1]octan-3-yl}methanesulfonamide
CID 165469234
6-Methanesulfonyl-6-azabicyclo[3.2.1]octan-3-amine
CID 165469235
6-(Propane-2-sulfonyl)-6-azabicyclo[3.2.1]octan-3-amine
CID 165469236
N-{6-azabicyclo[3.2.1]octan-3-yl}-1-chloromethanesulfonamide
CID 165469414
6-(Cyclopentanesulfonyl)-6-azabicyclo[3.2.1]octan-3-amine
CID 165477008
6-(Butane-1-sulfonyl)-6-azabicyclo[3.2.1]octan-3-amine
CID 165607890
6-(Propane-1-sulfonyl)-6-azabicyclo[3.2.1]octan-3-amine
CID 165744768

Frequently Asked Questions

What is the IUPAC name of N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroethanesulfonamide?
The IUPAC name of N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroethanesulfonamide (CID 165463594) is N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroethanesulfonamide.
What is the SMILES notation for N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroethanesulfonamide?
The canonical SMILES for N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroethanesulfonamide is O=S(=O)(CCCl)NC1CC2CNC(C2)C1.
What is the InChIKey of N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroethanesulfonamide?
The InChIKey is NCLMNBWEXAYXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN2O2S/c10-1-2-15(13,14)12-9-4-7-3-8(5-9)11-6-7/h7-9,11-12H,1-6H2.
What are the key properties of N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroethanesulfonamide?
N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroethanesulfonamide has a molecular weight of 252.77 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroethanesulfonamide is sourced from PubChem (CID 165463594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).