(2S)-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid

C9H18N2O4S — CID 28784048

IUPAC(2S)-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid
SMILESCC1CCN(S(=O)(=O)N[C@@H](C)C(=O)O)CC1
InChIInChI=1S/C9H18N2O4S/c1-7-3-5-11(6-4-7)16(14,15)10-8(2)9(12)13/h7-8,10H,3-6H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeyZARAAFFMUMTZNQ-QMMMGPOBSA-N
MW250.32 g/mol
LogP0.03
Rot. Bonds4

About (2S)-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid

(2S)-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid (PubChem CID 28784048) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is (2S)-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid
PubChem CID28784048
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name(2S)-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid
SMILESCC1CCN(S(=O)(=O)N[C@@H](C)C(=O)O)CC1
InChIInChI=1S/C9H18N2O4S/c1-7-3-5-11(6-4-7)16(14,15)10-8(2)9(12)13/h7-8,10H,3-6H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeyZARAAFFMUMTZNQ-QMMMGPOBSA-N
XLogP0.03
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(morpholin-4-ylsulfonylamino)propanoic acid
CID 10354183
2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
CID 43631191
N-(4-bromobutan-2-yl)-4-methylpiperidine-1-sulfonamide
CID 83178467
2-methyl-5-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
CID 104682900
2-[(4-methylpiperidin-1-yl)amino]propanoic acid
CID 166794426
(2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 942904
1-(4-hydroxybutan-2-ylsulfamoyl)piperidine-4-carboxylic acid
CID 83177957
2,2,3-trimethyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 65266306
(2R)-2-[(3-methylpyrrolidin-1-yl)sulfonylamino]-2-phenylacetic acid
CID 122069433
1-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 79254218
methyl 2-(piperidin-1-ylsulfonylamino)propanoate
CID 60723843
N-(1-chlorobutan-2-yl)-4-methylpiperidine-1-sulfonamide
CID 65033436

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid?
The IUPAC name of (2S)-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid (CID 28784048) is (2S)-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid?
The canonical SMILES for (2S)-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid is CC1CCN(S(=O)(=O)N[C@@H](C)C(=O)O)CC1.
What is the InChIKey of (2S)-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid?
The InChIKey is ZARAAFFMUMTZNQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-7-3-5-11(6-4-7)16(14,15)10-8(2)9(12)13/h7-8,10H,3-6H2,1-2H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid?
(2S)-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid has a molecular weight of 250.32 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 28784048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).