1-amino-5-tert-butylsulfonyl-2-methylpentan-3-one

C10H21NO3S — CID 106736334

IUPAC1-amino-5-tert-butylsulfonyl-2-methylpentan-3-one
SMILESCC(CN)C(=O)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H21NO3S/c1-8(7-11)9(12)5-6-15(13,14)10(2,3)4/h8H,5-7,11H2,1-4H3
InChIKeyLORLFZGOBUKINY-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.75
Rot. Bonds5

About 1-amino-5-tert-butylsulfonyl-2-methylpentan-3-one

1-amino-5-tert-butylsulfonyl-2-methylpentan-3-one (PubChem CID 106736334) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-amino-5-tert-butylsulfonyl-2-methylpentan-3-one.

Molecular Properties

Compound Name1-amino-5-tert-butylsulfonyl-2-methylpentan-3-one
PubChem CID106736334
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name1-amino-5-tert-butylsulfonyl-2-methylpentan-3-one
SMILESCC(CN)C(=O)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H21NO3S/c1-8(7-11)9(12)5-6-15(13,14)10(2,3)4/h8H,5-7,11H2,1-4H3
InChIKeyLORLFZGOBUKINY-UHFFFAOYSA-N
XLogP0.75
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-amino-5-tert-butylsulfonyl-2-methylpentan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-2-methylhexan-3-one
CID 116564408
3-tert-butylsulfonylpropanethioic S-acid
CID 88748629
2-(2-tert-butylsulfonylethoxy)propanoic acid
CID 106721813
4-tert-butylsulfonyl-2-ethylbutan-1-amine
CID 106729540
4-amino-N-(2-tert-butylsulfonylethyl)pentanamide
CID 120562745
3-(2-tert-butylsulfonylethylsulfanyl)-2-methylpropanoic acid
CID 106721869
2-(2-aminoethyl)-4-tert-butylsulfonylbutanoic acid
CID 106736073
2-(2-tert-butylsulfonylethyl)-3-methylbutanoic acid
CID 106727780
1-(4-aminocyclohexyl)-3-tert-butylsulfonylpropan-1-one
CID 106736234
2-(2-tert-butylsulfonylethyl)pentanoic acid
CID 106727777
2-(2-tert-butylsulfonylethylsulfinyl)propanoic acid
CID 106728522
2-(2-tert-butylsulfonylethylsulfonyl)ethanamine
CID 106735655

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-tert-butylsulfonyl-2-methylpentan-3-one?
The IUPAC name of 1-amino-5-tert-butylsulfonyl-2-methylpentan-3-one (CID 106736334) is 1-amino-5-tert-butylsulfonyl-2-methylpentan-3-one.
What is the SMILES notation for 1-amino-5-tert-butylsulfonyl-2-methylpentan-3-one?
The canonical SMILES for 1-amino-5-tert-butylsulfonyl-2-methylpentan-3-one is CC(CN)C(=O)CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 1-amino-5-tert-butylsulfonyl-2-methylpentan-3-one?
The InChIKey is LORLFZGOBUKINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-8(7-11)9(12)5-6-15(13,14)10(2,3)4/h8H,5-7,11H2,1-4H3.
What are the key properties of 1-amino-5-tert-butylsulfonyl-2-methylpentan-3-one?
1-amino-5-tert-butylsulfonyl-2-methylpentan-3-one has a molecular weight of 235.35 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-tert-butylsulfonyl-2-methylpentan-3-one is sourced from PubChem (CID 106736334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).