8-(2-chlorophenyl)sulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane

C13H17ClN2O2S — CID 129269387

IUPAC8-(2-chlorophenyl)sulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCN1CC2CCC(C1)N2S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2S/c1-15-8-10-6-7-11(9-15)16(10)19(17,18)13-5-3-2-4-12(13)14/h2-5,10-11H,6-9H2,1H3
InChIKeyPQIWKHRCFVBPBJ-UHFFFAOYSA-N
MW300.81 g/mol
LogP1.81
Rot. Bonds2

About 8-(2-chlorophenyl)sulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane

8-(2-chlorophenyl)sulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 129269387) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is 8-(2-chlorophenyl)sulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(2-chlorophenyl)sulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID129269387
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC Name8-(2-chlorophenyl)sulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCN1CC2CCC(C1)N2S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2S/c1-15-8-10-6-7-11(9-15)16(10)19(17,18)13-5-3-2-4-12(13)14/h2-5,10-11H,6-9H2,1H3
InChIKeyPQIWKHRCFVBPBJ-UHFFFAOYSA-N
XLogP1.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 47454432
(1S,5S)-8-(2-chlorophenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
CID 129357632
2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 110726799
3-(chloromethyl)-1-(2-chlorophenyl)sulfonylpyrrolidine
CID 63400465
(1R,2S,6R,7S)-4-(2-chlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride
CID 161309919
(3aR,6aS)-5-(2-chlorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042402
3-[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160081
3-(2-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63782024
(1S,5R)-6-(2-chlorophenyl)sulfonyl-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 72930159
1-(2-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030799
1-(2-chlorophenyl)sulfonylpiperidin-3-amine
CID 43123365
(3R)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]thiolane 1,1-dioxide
CID 8818252

Frequently Asked Questions

What is the IUPAC name of 8-(2-chlorophenyl)sulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-(2-chlorophenyl)sulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane (CID 129269387) is 8-(2-chlorophenyl)sulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(2-chlorophenyl)sulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-(2-chlorophenyl)sulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane is CN1CC2CCC(C1)N2S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 8-(2-chlorophenyl)sulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is PQIWKHRCFVBPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2S/c1-15-8-10-6-7-11(9-15)16(10)19(17,18)13-5-3-2-4-12(13)14/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 8-(2-chlorophenyl)sulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane?
8-(2-chlorophenyl)sulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 300.81 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chlorophenyl)sulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 129269387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).