2-(3-bicyclo[4.1.0]hepta-2,4-dienylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide

C15H24N2OS — CID 142934178

IUPAC2-(3-bicyclo[4.1.0]hepta-2,4-dienylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCNC(=O)CSC1=CC2CC2C=C1
InChIInChI=1S/C15H24N2OS/c1-3-17(4-2)8-7-16-15(18)11-19-14-6-5-12-9-13(12)10-14/h5-6,10,12-13H,3-4,7-9,11H2,1-2H3,(H,16,18)
InChIKeyJKIXGQLDGYRVBU-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.27
Rot. Bonds8

About 2-(3-bicyclo[4.1.0]hepta-2,4-dienylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide

2-(3-bicyclo[4.1.0]hepta-2,4-dienylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide (PubChem CID 142934178) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-(3-bicyclo[4.1.0]hepta-2,4-dienylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-bicyclo[4.1.0]hepta-2,4-dienylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide
PubChem CID142934178
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-(3-bicyclo[4.1.0]hepta-2,4-dienylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCNC(=O)CSC1=CC2CC2C=C1
InChIInChI=1S/C15H24N2OS/c1-3-17(4-2)8-7-16-15(18)11-19-14-6-5-12-9-13(12)10-14/h5-6,10,12-13H,3-4,7-9,11H2,1-2H3,(H,16,18)
InChIKeyJKIXGQLDGYRVBU-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide
CID 84555660
N-[2-(diethylamino)ethyl]-3,3-diphenylpropanamide
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N-[2-(diethylamino)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 110463127
2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[2-(diethylamino)ethyl]acetamide
CID 15997830
2-(carbamoylamino)-N-[2-(diethylamino)ethyl]acetamide
CID 127518867
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CID 39202618
4-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]butanamide
CID 112759806
N-[3-[2-(diethylamino)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 30550443
N'-[2-(diethylamino)ethyl]-N-(2-phenylethyl)butanediamide
CID 51362720
2-(4-acetamidophenyl)-N-[2-(diethylamino)ethyl]acetamide
CID 108792640
N-[2-(diethylamino)ethyl]-4,4-dimethylpentanamide
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4-chloro-N-[2-(diethylamino)ethyl]butanamide
CID 16784552

Frequently Asked Questions

What is the IUPAC name of 2-(3-bicyclo[4.1.0]hepta-2,4-dienylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide?
The IUPAC name of 2-(3-bicyclo[4.1.0]hepta-2,4-dienylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide (CID 142934178) is 2-(3-bicyclo[4.1.0]hepta-2,4-dienylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(3-bicyclo[4.1.0]hepta-2,4-dienylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide?
The canonical SMILES for 2-(3-bicyclo[4.1.0]hepta-2,4-dienylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide is CCN(CC)CCNC(=O)CSC1=CC2CC2C=C1.
What is the InChIKey of 2-(3-bicyclo[4.1.0]hepta-2,4-dienylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide?
The InChIKey is JKIXGQLDGYRVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-3-17(4-2)8-7-16-15(18)11-19-14-6-5-12-9-13(12)10-14/h5-6,10,12-13H,3-4,7-9,11H2,1-2H3,(H,16,18).
What are the key properties of 2-(3-bicyclo[4.1.0]hepta-2,4-dienylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide?
2-(3-bicyclo[4.1.0]hepta-2,4-dienylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide has a molecular weight of 280.44 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bicyclo[4.1.0]hepta-2,4-dienylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide is sourced from PubChem (CID 142934178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).