(2R)-2-amino-4-methyl-2-methylsulfonylpentanamide

C7H16N2O3S — CID 91204262

IUPAC(2R)-2-amino-4-methyl-2-methylsulfonylpentanamide
SMILESCC(C)C[C@](N)(C(N)=O)S(C)(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-5(2)4-7(9,6(8)10)13(3,11)12/h5H,4,9H2,1-3H3,(H2,8,10)/t7-/m1/s1
InChIKeyZGHDPFOVJBTQJM-SSDOTTSWSA-N
MW208.28 g/mol
LogP-0.78
Rot. Bonds4

About (2R)-2-amino-4-methyl-2-methylsulfonylpentanamide

(2R)-2-amino-4-methyl-2-methylsulfonylpentanamide (PubChem CID 91204262) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-2-methylsulfonylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-2-methylsulfonylpentanamide
PubChem CID91204262
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name(2R)-2-amino-4-methyl-2-methylsulfonylpentanamide
SMILESCC(C)C[C@](N)(C(N)=O)S(C)(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-5(2)4-7(9,6(8)10)13(3,11)12/h5H,4,9H2,1-3H3,(H2,8,10)/t7-/m1/s1
InChIKeyZGHDPFOVJBTQJM-SSDOTTSWSA-N
XLogP-0.78
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-2-methylsulfonylpentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-2-methylsulfonylpentanamide (CID 91204262) is (2R)-2-amino-4-methyl-2-methylsulfonylpentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-2-methylsulfonylpentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-2-methylsulfonylpentanamide is CC(C)C[C@](N)(C(N)=O)S(C)(=O)=O.
What is the InChIKey of (2R)-2-amino-4-methyl-2-methylsulfonylpentanamide?
The InChIKey is ZGHDPFOVJBTQJM-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-5(2)4-7(9,6(8)10)13(3,11)12/h5H,4,9H2,1-3H3,(H2,8,10)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-2-methylsulfonylpentanamide?
(2R)-2-amino-4-methyl-2-methylsulfonylpentanamide has a molecular weight of 208.28 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-2-methylsulfonylpentanamide is sourced from PubChem (CID 91204262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).