N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-methylacetamide

C14H26N2OS — CID 61232586

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-methylacetamide
SMILESCN(C(=O)CSC(C)(C)C)C1CC2CCC(C1)N2
InChIInChI=1S/C14H26N2OS/c1-14(2,3)18-9-13(17)16(4)12-7-10-5-6-11(8-12)15-10/h10-12,15H,5-9H2,1-4H3
InChIKeyFLRHXTUHKSJLKV-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.26
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-methylacetamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-methylacetamide (PubChem CID 61232586) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-methylacetamide
PubChem CID61232586
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-methylacetamide
SMILESCN(C(=O)CSC(C)(C)C)C1CC2CCC(C1)N2
InChIInChI=1S/C14H26N2OS/c1-14(2,3)18-9-13(17)16(4)12-7-10-5-6-11(8-12)15-10/h10-12,15H,5-9H2,1-4H3
InChIKeyFLRHXTUHKSJLKV-UHFFFAOYSA-N
XLogP2.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-methylacetamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-methylacetamide (CID 61232586) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-methylacetamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-methylacetamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-methylacetamide is CN(C(=O)CSC(C)(C)C)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-methylacetamide?
The InChIKey is FLRHXTUHKSJLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-14(2,3)18-9-13(17)16(4)12-7-10-5-6-11(8-12)15-10/h10-12,15H,5-9H2,1-4H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-methylacetamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-methylacetamide has a molecular weight of 270.44 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-methylacetamide is sourced from PubChem (CID 61232586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).