2-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylsulfanylbutanamide

C14H26N2OS — CID 76892242

IUPAC2-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylsulfanylbutanamide
SMILESCSCCC(N)C(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C14H26N2OS/c1-9(12-8-10-3-4-11(12)7-10)16-14(17)13(15)5-6-18-2/h9-13H,3-8,15H2,1-2H3,(H,16,17)
InChIKeyFXFXBOAZSRJWCN-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.01
Rot. Bonds6

About 2-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylsulfanylbutanamide

2-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylsulfanylbutanamide (PubChem CID 76892242) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylsulfanylbutanamide
PubChem CID76892242
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name2-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylsulfanylbutanamide
SMILESCSCCC(N)C(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C14H26N2OS/c1-9(12-8-10-3-4-11(12)7-10)16-14(17)13(15)5-6-18-2/h9-13H,3-8,15H2,1-2H3,(H,16,17)
InChIKeyFXFXBOAZSRJWCN-UHFFFAOYSA-N
XLogP2.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-4-methylsulfanylbutanamide
CID 104908561
(2S)-2-amino-N-[(1S)-1-cycloheptylethyl]-4-methylsulfanylbutanamide
CID 81391661
(2R)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-methylsulfanylbutanamide
CID 104908828
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-4-methylsulfanylbutanamide
CID 81393379
4-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanamide;hydrochloride
CID 120558701
[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]urea
CID 98054797
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[3-[[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-oxopropyl]sulfanylpropanamide
CID 100726421
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
CID 60651144
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137773
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methylbutanamide
CID 98233114
(2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide
CID 22691834
(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide
CID 104906920

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylsulfanylbutanamide?
The IUPAC name of 2-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylsulfanylbutanamide (CID 76892242) is 2-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylsulfanylbutanamide?
The canonical SMILES for 2-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylsulfanylbutanamide is CSCCC(N)C(=O)NC(C)C1CC2CCC1C2.
What is the InChIKey of 2-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylsulfanylbutanamide?
The InChIKey is FXFXBOAZSRJWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-9(12-8-10-3-4-11(12)7-10)16-14(17)13(15)5-6-18-2/h9-13H,3-8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylsulfanylbutanamide?
2-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylsulfanylbutanamide has a molecular weight of 270.44 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 76892242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).