2-(2-aminoethylsulfanyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide

C13H24N2OS — CID 43249411

IUPAC2-(2-aminoethylsulfanyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide
SMILESCC(NC(=O)CSCCN)C1CC2CCC1C2
InChIInChI=1S/C13H24N2OS/c1-9(15-13(16)8-17-5-4-14)12-7-10-2-3-11(12)6-10/h9-12H,2-8,14H2,1H3,(H,15,16)
InChIKeyRJNIJPMVZVOATM-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.62
Rot. Bonds6

About 2-(2-aminoethylsulfanyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide

2-(2-aminoethylsulfanyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide (PubChem CID 43249411) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide
PubChem CID43249411
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name2-(2-aminoethylsulfanyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide
SMILESCC(NC(=O)CSCCN)C1CC2CCC1C2
InChIInChI=1S/C13H24N2OS/c1-9(15-13(16)8-17-5-4-14)12-7-10-2-3-11(12)6-10/h9-12H,2-8,14H2,1H3,(H,15,16)
InChIKeyRJNIJPMVZVOATM-UHFFFAOYSA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 2340917
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CID 2374979
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CID 3364270
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CID 4147901
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CID 4246273
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CID 5678113
CID 5678113

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide?
The IUPAC name of 2-(2-aminoethylsulfanyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide (CID 43249411) is 2-(2-aminoethylsulfanyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide is CC(NC(=O)CSCCN)C1CC2CCC1C2.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide?
The InChIKey is RJNIJPMVZVOATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-9(15-13(16)8-17-5-4-14)12-7-10-2-3-11(12)6-10/h9-12H,2-8,14H2,1H3,(H,15,16).
What are the key properties of 2-(2-aminoethylsulfanyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide?
2-(2-aminoethylsulfanyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide has a molecular weight of 256.41 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide is sourced from PubChem (CID 43249411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).