(2S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid

C11H22N2O4S — CID 28784010

IUPAC(2S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
SMILESCC1CCN(S(=O)(=O)N[C@H](C(=O)O)C(C)C)CC1
InChIInChI=1S/C11H22N2O4S/c1-8(2)10(11(14)15)12-18(16,17)13-6-4-9(3)5-7-13/h8-10,12H,4-7H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyGAWCRBLWGDMUCW-JTQLQIEISA-N
MW278.37 g/mol
LogP0.66
Rot. Bonds5

About (2S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid

(2S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid (PubChem CID 28784010) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
PubChem CID28784010
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name(2S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
SMILESCC1CCN(S(=O)(=O)N[C@H](C(=O)O)C(C)C)CC1
InChIInChI=1S/C11H22N2O4S/c1-8(2)10(11(14)15)12-18(16,17)13-6-4-9(3)5-7-13/h8-10,12H,4-7H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyGAWCRBLWGDMUCW-JTQLQIEISA-N
XLogP0.66
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid?
The IUPAC name of (2S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid (CID 28784010) is (2S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid?
The canonical SMILES for (2S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid is CC1CCN(S(=O)(=O)N[C@H](C(=O)O)C(C)C)CC1.
What is the InChIKey of (2S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid?
The InChIKey is GAWCRBLWGDMUCW-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-8(2)10(11(14)15)12-18(16,17)13-6-4-9(3)5-7-13/h8-10,12H,4-7H2,1-3H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid?
(2S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid has a molecular weight of 278.37 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 28784010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).