N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-sulfanylpropanamide

C12H22N2OS — CID 107031276

IUPACN-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-sulfanylpropanamide
SMILESCC(S)C(=O)NC1CC2CCCC(C1)N2C
InChIInChI=1S/C12H22N2OS/c1-8(16)12(15)13-9-6-10-4-3-5-11(7-9)14(10)2/h8-11,16H,3-7H2,1-2H3,(H,13,15)
InChIKeyRRFNTTWNLWFRHH-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.44
Rot. Bonds2

About N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-sulfanylpropanamide

N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-sulfanylpropanamide (PubChem CID 107031276) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-sulfanylpropanamide
PubChem CID107031276
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-sulfanylpropanamide
SMILESCC(S)C(=O)NC1CC2CCCC(C1)N2C
InChIInChI=1S/C12H22N2OS/c1-8(16)12(15)13-9-6-10-4-3-5-11(7-9)14(10)2/h8-11,16H,3-7H2,1-2H3,(H,13,15)
InChIKeyRRFNTTWNLWFRHH-UHFFFAOYSA-N
XLogP1.44
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-sulfanylpropanamide?
The IUPAC name of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-sulfanylpropanamide (CID 107031276) is N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-sulfanylpropanamide.
What is the SMILES notation for N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-sulfanylpropanamide?
The canonical SMILES for N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-sulfanylpropanamide is CC(S)C(=O)NC1CC2CCCC(C1)N2C.
What is the InChIKey of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-sulfanylpropanamide?
The InChIKey is RRFNTTWNLWFRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-8(16)12(15)13-9-6-10-4-3-5-11(7-9)14(10)2/h8-11,16H,3-7H2,1-2H3,(H,13,15).
What are the key properties of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-sulfanylpropanamide?
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-sulfanylpropanamide has a molecular weight of 242.39 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-sulfanylpropanamide is sourced from PubChem (CID 107031276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).