2-[(3-methylpiperidin-1-yl)sulfonyl-(2-methylpropyl)amino]acetic acid

C12H24N2O4S — CID 63066424

IUPAC2-[(3-methylpiperidin-1-yl)sulfonyl-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C12H24N2O4S/c1-10(2)7-14(9-12(15)16)19(17,18)13-6-4-5-11(3)8-13/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyYICMAWFRHIERCX-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.01
Rot. Bonds6

About 2-[(3-methylpiperidin-1-yl)sulfonyl-(2-methylpropyl)amino]acetic acid

2-[(3-methylpiperidin-1-yl)sulfonyl-(2-methylpropyl)amino]acetic acid (PubChem CID 63066424) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-[(3-methylpiperidin-1-yl)sulfonyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-methylpiperidin-1-yl)sulfonyl-(2-methylpropyl)amino]acetic acid
PubChem CID63066424
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name2-[(3-methylpiperidin-1-yl)sulfonyl-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C12H24N2O4S/c1-10(2)7-14(9-12(15)16)19(17,18)13-6-4-5-11(3)8-13/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyYICMAWFRHIERCX-UHFFFAOYSA-N
XLogP1.01
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methylpropyl(morpholin-4-ylsulfonyl)amino]acetic acid
CID 62033516
N-butyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-sulfonamide
CID 61448219
N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide
CID 54983626
methyl 2-[(3-methylpiperidin-1-yl)sulfonyl-propylamino]acetate
CID 54942106
2-[methyl-[(3R)-3-methylpiperidin-1-yl]sulfonylamino]acetamide
CID 94061322
3-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910645
2-[2-methoxyethyl-[(3R)-3-methylpiperidin-1-yl]sulfonylamino]acetamide
CID 94798810
2-(3-methylpiperidin-1-yl)sulfonylpropanoic acid
CID 61454331
N-(3-aminopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide
CID 43136910
2-methyl-3-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 54991822
N-(1-bromopropan-2-yl)-N,3-dimethylpiperidine-1-sulfonamide
CID 104556348
2-[2-methylpropyl-(3-methylpyrrolidine-1-carbonyl)amino]acetic acid
CID 63064206

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpiperidin-1-yl)sulfonyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(3-methylpiperidin-1-yl)sulfonyl-(2-methylpropyl)amino]acetic acid (CID 63066424) is 2-[(3-methylpiperidin-1-yl)sulfonyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-methylpiperidin-1-yl)sulfonyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(3-methylpiperidin-1-yl)sulfonyl-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)S(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of 2-[(3-methylpiperidin-1-yl)sulfonyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is YICMAWFRHIERCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-10(2)7-14(9-12(15)16)19(17,18)13-6-4-5-11(3)8-13/h10-11H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[(3-methylpiperidin-1-yl)sulfonyl-(2-methylpropyl)amino]acetic acid?
2-[(3-methylpiperidin-1-yl)sulfonyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 292.40 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpiperidin-1-yl)sulfonyl-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63066424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).