2-(benzenesulfonyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide

C16H22N2O3S — CID 2802758

IUPAC2-(benzenesulfonyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCN1C2CCC1CC(NC(=O)CS(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C16H22N2O3S/c1-18-13-7-8-14(18)10-12(9-13)17-16(19)11-22(20,21)15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3,(H,17,19)
InChIKeyYFWQISPPCPCIPW-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.20
Rot. Bonds4

About 2-(benzenesulfonyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide

2-(benzenesulfonyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide (PubChem CID 2802758) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
PubChem CID2802758
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name2-(benzenesulfonyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCN1C2CCC1CC(NC(=O)CS(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C16H22N2O3S/c1-18-13-7-8-14(18)10-12(9-13)17-16(19)11-22(20,21)15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3,(H,17,19)
InChIKeyYFWQISPPCPCIPW-UHFFFAOYSA-N
XLogP1.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylsulfanylacetamide
CID 11859507
2-(2-fluorophenyl)-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 11888542
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
CID 126477922
N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-phenylpropanamide
CID 99987386
2-(benzenesulfonyl)-N-(1,4-dioxo-3-propan-2-yl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl)acetamide
CID 4204418
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-sulfanylacetamide
CID 130663104
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamic acid
CID 67915994
2-(benzenesulfonyl)-N-hydroxyacetamide
CID 91245592
2-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-phenylacetamide
CID 65471032
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 167934556
2-(4-chlorophenyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetamide
CID 166244673
2-(4-fluorophenyl)sulfanyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 6928663

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide (CID 2802758) is 2-(benzenesulfonyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide is CN1C2CCC1CC(NC(=O)CS(=O)(=O)c1ccccc1)C2.
What is the InChIKey of 2-(benzenesulfonyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide?
The InChIKey is YFWQISPPCPCIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-18-13-7-8-14(18)10-12(9-13)17-16(19)11-22(20,21)15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3,(H,17,19).
What are the key properties of 2-(benzenesulfonyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide?
2-(benzenesulfonyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide has a molecular weight of 322.43 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide is sourced from PubChem (CID 2802758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).