N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-2-thiophen-2-ylacetamide

C14H20N2O3S2 — CID 100715401

IUPACN-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-2-thiophen-2-ylacetamide
SMILESCS(=O)(=O)N1[C@H]2CC[C@H]1CC(NC(=O)Cc1cccs1)C2
InChIInChI=1S/C14H20N2O3S2/c1-21(18,19)16-11-4-5-12(16)8-10(7-11)15-14(17)9-13-3-2-6-20-13/h2-3,6,10-12H,4-5,7-9H2,1H3,(H,15,17)/t11-,12-/m0/s1
InChIKeyVGOSBFNJGOWKDF-RYUDHWBXSA-N
MW328.46 g/mol
LogP1.36
Rot. Bonds4

About N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-2-thiophen-2-ylacetamide

N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-2-thiophen-2-ylacetamide (PubChem CID 100715401) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-2-thiophen-2-ylacetamide
PubChem CID100715401
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC NameN-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-2-thiophen-2-ylacetamide
SMILESCS(=O)(=O)N1[C@H]2CC[C@H]1CC(NC(=O)Cc1cccs1)C2
InChIInChI=1S/C14H20N2O3S2/c1-21(18,19)16-11-4-5-12(16)8-10(7-11)15-14(17)9-13-3-2-6-20-13/h2-3,6,10-12H,4-5,7-9H2,1H3,(H,15,17)/t11-,12-/m0/s1
InChIKeyVGOSBFNJGOWKDF-RYUDHWBXSA-N
XLogP1.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-2-thiophen-2-ylacetamide with MolForge

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Related Compounds

N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-2-ylacetamide;hydrochloride
CID 119458002
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide
CID 95968730
N-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554283
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108561420
N-[(1R,5S)-9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]acetamide
CID 1467158
N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
CID 110822347
N,N-diethyl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
CID 108561438
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 47013772
N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554268
N-(2,2-dimethylpropyl)-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
CID 110822570
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-thiophen-2-ylacetamide
CID 86772548

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-2-thiophen-2-ylacetamide (CID 100715401) is N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-2-thiophen-2-ylacetamide is CS(=O)(=O)N1[C@H]2CC[C@H]1CC(NC(=O)Cc1cccs1)C2.
What is the InChIKey of N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-2-thiophen-2-ylacetamide?
The InChIKey is VGOSBFNJGOWKDF-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c1-21(18,19)16-11-4-5-12(16)8-10(7-11)15-14(17)9-13-3-2-6-20-13/h2-3,6,10-12H,4-5,7-9H2,1H3,(H,15,17)/t11-,12-/m0/s1.
What are the key properties of N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-2-thiophen-2-ylacetamide?
N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-2-thiophen-2-ylacetamide has a molecular weight of 328.46 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 100715401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).