1-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanesulfonamide

C10H19ClN2O2S — CID 65472618

IUPAC1-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanesulfonamide
SMILESCN1C2CCCC1CC(NS(=O)(=O)CCl)C2
InChIInChI=1S/C10H19ClN2O2S/c1-13-9-3-2-4-10(13)6-8(5-9)12-16(14,15)7-11/h8-10,12H,2-7H2,1H3
InChIKeyQIDXCBIORMDMFL-UHFFFAOYSA-N
MW266.79 g/mol
LogP1.12
Rot. Bonds3

About 1-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanesulfonamide

1-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanesulfonamide (PubChem CID 65472618) has the molecular formula C10H19ClN2O2S and a molecular weight of 266.79 g/mol. Its IUPAC name is 1-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanesulfonamide
PubChem CID65472618
Molecular FormulaC10H19ClN2O2S
Molecular Weight266.79 g/mol
Exact Mass266.09
IUPAC Name1-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanesulfonamide
SMILESCN1C2CCCC1CC(NS(=O)(=O)CCl)C2
InChIInChI=1S/C10H19ClN2O2S/c1-13-9-3-2-4-10(13)6-8(5-9)12-16(14,15)7-11/h8-10,12H,2-7H2,1H3
InChIKeyQIDXCBIORMDMFL-UHFFFAOYSA-N
XLogP1.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.79
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanesulfonamide (CID 65472618) is 1-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanesulfonamide is CN1C2CCCC1CC(NS(=O)(=O)CCl)C2.
What is the InChIKey of 1-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanesulfonamide?
The InChIKey is QIDXCBIORMDMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O2S/c1-13-9-3-2-4-10(13)6-8(5-9)12-16(14,15)7-11/h8-10,12H,2-7H2,1H3.
What are the key properties of 1-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanesulfonamide?
1-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanesulfonamide has a molecular weight of 266.79 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanesulfonamide is sourced from PubChem (CID 65472618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).