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

C15H26N2OS — CID 80736660

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide
SMILESCC1(CNC(=O)CC2CC3CCC(C2)N3)CCCS1
InChIInChI=1S/C15H26N2OS/c1-15(5-2-6-19-15)10-16-14(18)9-11-7-12-3-4-13(8-11)17-12/h11-13,17H,2-10H2,1H3,(H,16,18)
InChIKeyUCHVPSHGXJWVQZ-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.31
Rot. Bonds4

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide (PubChem CID 80736660) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide
PubChem CID80736660
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide
SMILESCC1(CNC(=O)CC2CC3CCC(C2)N3)CCCS1
InChIInChI=1S/C15H26N2OS/c1-15(5-2-6-19-15)10-16-14(18)9-11-7-12-3-4-13(8-11)17-12/h11-13,17H,2-10H2,1H3,(H,16,18)
InChIKeyUCHVPSHGXJWVQZ-UHFFFAOYSA-N
XLogP2.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide
CID 105417257
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methyloxolan-2-yl)methyl]acetamide;hydrochloride
CID 119782238
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 79615256
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119817816
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]acetamide
CID 119820379
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methylcyclopropyl)acetamide
CID 115739552
N-[(2-methylthiolan-2-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940106
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]acetamide;hydrochloride
CID 119820378
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,2-dimethylcyclopropyl)methyl]acetamide
CID 113266851
2-(4-aminopiperidin-1-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide
CID 80736654
3-amino-N-[(2-methylthiolan-2-yl)methyl]propanamide
CID 80737620
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-diethylbutyl)acetamide;hydrochloride
CID 119822033

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide (CID 80736660) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide is CC1(CNC(=O)CC2CC3CCC(C2)N3)CCCS1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide?
The InChIKey is UCHVPSHGXJWVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-15(5-2-6-19-15)10-16-14(18)9-11-7-12-3-4-13(8-11)17-12/h11-13,17H,2-10H2,1H3,(H,16,18).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide has a molecular weight of 282.45 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide is sourced from PubChem (CID 80736660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).