N-[(2S)-1-amino-4-methylpentan-2-yl]-1-(2-methylphenyl)methanesulfonamide

C14H24N2O2S — CID 97238605

IUPACN-[(2S)-1-amino-4-methylpentan-2-yl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)N[C@H](CN)CC(C)C
InChIInChI=1S/C14H24N2O2S/c1-11(2)8-14(9-15)16-19(17,18)10-13-7-5-4-6-12(13)3/h4-7,11,14,16H,8-10,15H2,1-3H3/t14-/m0/s1
InChIKeyVCTUFYCJGLUATH-AWEZNQCLSA-N
MW284.42 g/mol
LogP1.79
Rot. Bonds7

About N-[(2S)-1-amino-4-methylpentan-2-yl]-1-(2-methylphenyl)methanesulfonamide

N-[(2S)-1-amino-4-methylpentan-2-yl]-1-(2-methylphenyl)methanesulfonamide (PubChem CID 97238605) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is N-[(2S)-1-amino-4-methylpentan-2-yl]-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-4-methylpentan-2-yl]-1-(2-methylphenyl)methanesulfonamide
PubChem CID97238605
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC NameN-[(2S)-1-amino-4-methylpentan-2-yl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)N[C@H](CN)CC(C)C
InChIInChI=1S/C14H24N2O2S/c1-11(2)8-14(9-15)16-19(17,18)10-13-7-5-4-6-12(13)3/h4-7,11,14,16H,8-10,15H2,1-3H3/t14-/m0/s1
InChIKeyVCTUFYCJGLUATH-AWEZNQCLSA-N
XLogP1.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-4-methylpentan-2-yl]-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(2S)-1-amino-4-methylpentan-2-yl]-1-(2-methylphenyl)methanesulfonamide (CID 97238605) is N-[(2S)-1-amino-4-methylpentan-2-yl]-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(2S)-1-amino-4-methylpentan-2-yl]-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(2S)-1-amino-4-methylpentan-2-yl]-1-(2-methylphenyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)N[C@H](CN)CC(C)C.
What is the InChIKey of N-[(2S)-1-amino-4-methylpentan-2-yl]-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is VCTUFYCJGLUATH-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-11(2)8-14(9-15)16-19(17,18)10-13-7-5-4-6-12(13)3/h4-7,11,14,16H,8-10,15H2,1-3H3/t14-/m0/s1.
What are the key properties of N-[(2S)-1-amino-4-methylpentan-2-yl]-1-(2-methylphenyl)methanesulfonamide?
N-[(2S)-1-amino-4-methylpentan-2-yl]-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 284.42 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-4-methylpentan-2-yl]-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 97238605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).