2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)acetamide;hydrochloride

C16H29ClN2O3S — CID 119785647

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)acetamide;hydrochloride
SMILESCC(CS(C)(=O)=O)N(C(=O)CC1CC2CCC(C1)N2)C1CC1.Cl
InChIInChI=1S/C16H28N2O3S.ClH/c1-11(10-22(2,20)21)18(15-5-6-15)16(19)9-12-7-13-3-4-14(8-12)17-13;/h11-15,17H,3-10H2,1-2H3;1H
InChIKeySRQGLXCGCYDJAM-UHFFFAOYSA-N
MW364.94 g/mol
LogP1.75
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)acetamide;hydrochloride (PubChem CID 119785647) has the molecular formula C16H29ClN2O3S and a molecular weight of 364.94 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)acetamide;hydrochloride
PubChem CID119785647
Molecular FormulaC16H29ClN2O3S
Molecular Weight364.94 g/mol
Exact Mass364.16
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)acetamide;hydrochloride
SMILESCC(CS(C)(=O)=O)N(C(=O)CC1CC2CCC(C1)N2)C1CC1.Cl
InChIInChI=1S/C16H28N2O3S.ClH/c1-11(10-22(2,20)21)18(15-5-6-15)16(19)9-12-7-13-3-4-14(8-12)17-13;/h11-15,17H,3-10H2,1-2H3;1H
InChIKeySRQGLXCGCYDJAM-UHFFFAOYSA-N
XLogP1.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.94
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide
CID 79614755
N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119785653
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclopentyl-N-(2-methylpropyl)acetamide;hydrochloride
CID 119729654
N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-3-carboxamide
CID 119785662
N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119324783
cis-(1R,2S)-2-[cyclopropyl-[(2R)-1-methylsulfonylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125150837
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 79607861
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclooctyl-N-methylacetamide;hydrochloride
CID 119763862
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
CID 103188749
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-pentylacetamide
CID 79607336
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfonylethyl)acetamide
CID 79606940
N-cyclopropyl-2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]acetamide
CID 96539492

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)acetamide;hydrochloride (CID 119785647) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)acetamide;hydrochloride is CC(CS(C)(=O)=O)N(C(=O)CC1CC2CCC(C1)N2)C1CC1.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)acetamide;hydrochloride?
The InChIKey is SRQGLXCGCYDJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3S.ClH/c1-11(10-22(2,20)21)18(15-5-6-15)16(19)9-12-7-13-3-4-14(8-12)17-13;/h11-15,17H,3-10H2,1-2H3;1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)acetamide;hydrochloride has a molecular weight of 364.94 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119785647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).