2-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]acetic acid

C9H18N2O4S — CID 43210775

IUPAC2-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]acetic acid
SMILESCC1CCCCN1S(=O)(=O)N(C)CC(=O)O
InChIInChI=1S/C9H18N2O4S/c1-8-5-3-4-6-11(8)16(14,15)10(2)7-9(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyDUAGEAHHISHUQP-UHFFFAOYSA-N
MW250.32 g/mol
LogP0.12
Rot. Bonds4

About 2-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]acetic acid

2-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]acetic acid (PubChem CID 43210775) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]acetic acid
PubChem CID43210775
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name2-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]acetic acid
SMILESCC1CCCCN1S(=O)(=O)N(C)CC(=O)O
InChIInChI=1S/C9H18N2O4S/c1-8-5-3-4-6-11(8)16(14,15)10(2)7-9(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyDUAGEAHHISHUQP-UHFFFAOYSA-N
XLogP0.12
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]acetic acid?
The IUPAC name of 2-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]acetic acid (CID 43210775) is 2-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]acetic acid is CC1CCCCN1S(=O)(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]acetic acid?
The InChIKey is DUAGEAHHISHUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-8-5-3-4-6-11(8)16(14,15)10(2)7-9(12)13/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]acetic acid?
2-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]acetic acid has a molecular weight of 250.32 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]acetic acid is sourced from PubChem (CID 43210775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).