3-[methyl(piperidin-4-yl)sulfamoyl]propanoic acid

C9H18N2O4S — CID 61403399

IUPAC3-[methyl(piperidin-4-yl)sulfamoyl]propanoic acid
SMILESCN(C1CCNCC1)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H18N2O4S/c1-11(8-2-5-10-6-3-8)16(14,15)7-4-9(12)13/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyFORHBDSNFZDFSB-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.53
Rot. Bonds5

About 3-[methyl(piperidin-4-yl)sulfamoyl]propanoic acid

3-[methyl(piperidin-4-yl)sulfamoyl]propanoic acid (PubChem CID 61403399) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-[methyl(piperidin-4-yl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[methyl(piperidin-4-yl)sulfamoyl]propanoic acid
PubChem CID61403399
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name3-[methyl(piperidin-4-yl)sulfamoyl]propanoic acid
SMILESCN(C1CCNCC1)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H18N2O4S/c1-11(8-2-5-10-6-3-8)16(14,15)7-4-9(12)13/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyFORHBDSNFZDFSB-UHFFFAOYSA-N
XLogP-0.53
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl(piperidin-4-yl)sulfamoyl]butanoic acid
CID 61403398
N-methyl-N-piperidin-4-ylethanesulfonamide
CID 43606907
3-[methyl(oxolan-3-yl)sulfamoyl]propanoic acid
CID 82731745
4-[azetidin-3-yl(methyl)sulfamoyl]butanoic acid
CID 66186641
1-cyclopropyl-N-methyl-N-piperidin-4-ylmethanesulfonamide;hydrochloride
CID 119998743
N-methyl-3-methylsulfonyl-N-piperidin-4-ylpropanamide
CID 61003895
3-[methyl(pyrrolidin-3-yl)amino]propanoic acid
CID 63301426
N-methyl-N-piperidin-4-yl-1-pyridin-4-ylmethanesulfonamide
CID 71641545
3-[cyclopropyl(propyl)sulfamoyl]propanoic acid
CID 43270296
3-[cyclopentylmethyl(methyl)sulfamoyl]propanoic acid
CID 63631065
2-hydroxy-N-methyl-N-piperidin-4-ylacetamide
CID 89098845
methyl 3-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoate
CID 79717402

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(piperidin-4-yl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[methyl(piperidin-4-yl)sulfamoyl]propanoic acid (CID 61403399) is 3-[methyl(piperidin-4-yl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[methyl(piperidin-4-yl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[methyl(piperidin-4-yl)sulfamoyl]propanoic acid is CN(C1CCNCC1)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[methyl(piperidin-4-yl)sulfamoyl]propanoic acid?
The InChIKey is FORHBDSNFZDFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-11(8-2-5-10-6-3-8)16(14,15)7-4-9(12)13/h8,10H,2-7H2,1H3,(H,12,13).
What are the key properties of 3-[methyl(piperidin-4-yl)sulfamoyl]propanoic acid?
3-[methyl(piperidin-4-yl)sulfamoyl]propanoic acid has a molecular weight of 250.32 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(piperidin-4-yl)sulfamoyl]propanoic acid is sourced from PubChem (CID 61403399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).