2-amino-N-cyclooctyl-4-methylsulfonylbutanamide

C13H26N2O3S — CID 24708067

IUPAC2-amino-N-cyclooctyl-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NC1CCCCCCC1
InChIInChI=1S/C13H26N2O3S/c1-19(17,18)10-9-12(14)13(16)15-11-7-5-3-2-4-6-8-11/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyRZBFUJDZLOXUKH-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.98
Rot. Bonds5

About 2-amino-N-cyclooctyl-4-methylsulfonylbutanamide

2-amino-N-cyclooctyl-4-methylsulfonylbutanamide (PubChem CID 24708067) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-amino-N-cyclooctyl-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-cyclooctyl-4-methylsulfonylbutanamide
PubChem CID24708067
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name2-amino-N-cyclooctyl-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NC1CCCCCCC1
InChIInChI=1S/C13H26N2O3S/c1-19(17,18)10-9-12(14)13(16)15-11-7-5-3-2-4-6-8-11/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyRZBFUJDZLOXUKH-UHFFFAOYSA-N
XLogP0.98
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-hydroxycyclohexyl)-4-methylsulfonylbutanamide
CID 62359811
2-amino-4-methylsulfonyl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 119957269
(2S)-2-amino-N-cycloheptylhexanamide
CID 103830902
(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide
CID 104906920
2-amino-1-cycloheptyl-4-methylsulfonylbutan-1-one
CID 116552105
(2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide
CID 22691834
2-amino-4-methylsulfonyl-N-(2,2,3,3-tetramethylcyclopropyl)butanamide
CID 79363206
2-amino-N-[(2-methylcyclohexyl)methyl]-4-methylsulfonylbutanamide
CID 55012024
2-amino-N-cyclooctyl-3-methoxypropanamide
CID 81082114
methyl (7S)-7-amino-8-(cyclopentylamino)-8-oxooctanoate
CID 72946638
2-(3-aminobutylsulfonyl)-N-cyclopentylpropanamide
CID 81195838
2-amino-N-ethyl-4-methylsulfonylbutanamide
CID 24697380

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclooctyl-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-cyclooctyl-4-methylsulfonylbutanamide (CID 24708067) is 2-amino-N-cyclooctyl-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-cyclooctyl-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-cyclooctyl-4-methylsulfonylbutanamide is CS(=O)(=O)CCC(N)C(=O)NC1CCCCCCC1.
What is the InChIKey of 2-amino-N-cyclooctyl-4-methylsulfonylbutanamide?
The InChIKey is RZBFUJDZLOXUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-19(17,18)10-9-12(14)13(16)15-11-7-5-3-2-4-6-8-11/h11-12H,2-10,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-cyclooctyl-4-methylsulfonylbutanamide?
2-amino-N-cyclooctyl-4-methylsulfonylbutanamide has a molecular weight of 290.43 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclooctyl-4-methylsulfonylbutanamide is sourced from PubChem (CID 24708067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).