2-[[(3S)-piperidin-3-yl]sulfamoyl]propanoic acid

C8H16N2O4S — CID 104982569

IUPAC2-[[(3S)-piperidin-3-yl]sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N[C@H]1CCCNC1
InChIInChI=1S/C8H16N2O4S/c1-6(8(11)12)15(13,14)10-7-3-2-4-9-5-7/h6-7,9-10H,2-5H2,1H3,(H,11,12)/t6?,7-/m0/s1
InChIKeyBTTRWOGJBRFDMZ-MLWJPKLSSA-N
MW236.29 g/mol
LogP-0.87
Rot. Bonds4

About 2-[[(3S)-piperidin-3-yl]sulfamoyl]propanoic acid

2-[[(3S)-piperidin-3-yl]sulfamoyl]propanoic acid (PubChem CID 104982569) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[[(3S)-piperidin-3-yl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[[(3S)-piperidin-3-yl]sulfamoyl]propanoic acid
PubChem CID104982569
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name2-[[(3S)-piperidin-3-yl]sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N[C@H]1CCCNC1
InChIInChI=1S/C8H16N2O4S/c1-6(8(11)12)15(13,14)10-7-3-2-4-9-5-7/h6-7,9-10H,2-5H2,1H3,(H,11,12)/t6?,7-/m0/s1
InChIKeyBTTRWOGJBRFDMZ-MLWJPKLSSA-N
XLogP-0.87
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-piperidin-3-ylethylsulfamoyl)propanoic acid
CID 62047248
(3S)-N-(propan-2-ylsulfamoyl)piperidin-3-amine
CID 104982540
(3R)-N-(2-methylpropylsulfamoyl)piperidin-3-amine
CID 104978718
2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)propanoic acid
CID 61457776
N-[(3S)-piperidin-3-yl]ethanesulfonamide;hydrochloride
CID 53256488
2-methyl-N-[(3R)-piperidin-3-yl]propanamide;hydrochloride
CID 53256452
(1S)-N-[(3S)-piperidin-3-yl]-1-pyrazin-2-ylethanesulfonamide
CID 97162097
(3R)-3-(dimethylsulfamoylamino)piperidine;hydrochloride
CID 120723788
N-[(3S)-piperidin-3-yl]piperidine-1-sulfonamide;hydrochloride
CID 120716711
2-methoxy-N-[(3S)-piperidin-3-yl]propanamide
CID 103866505
3-(sulfamoylamino)azepane
CID 114959363
1,1-difluoro-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide
CID 79685509

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-piperidin-3-yl]sulfamoyl]propanoic acid?
The IUPAC name of 2-[[(3S)-piperidin-3-yl]sulfamoyl]propanoic acid (CID 104982569) is 2-[[(3S)-piperidin-3-yl]sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[[(3S)-piperidin-3-yl]sulfamoyl]propanoic acid?
The canonical SMILES for 2-[[(3S)-piperidin-3-yl]sulfamoyl]propanoic acid is CC(C(=O)O)S(=O)(=O)N[C@H]1CCCNC1.
What is the InChIKey of 2-[[(3S)-piperidin-3-yl]sulfamoyl]propanoic acid?
The InChIKey is BTTRWOGJBRFDMZ-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-6(8(11)12)15(13,14)10-7-3-2-4-9-5-7/h6-7,9-10H,2-5H2,1H3,(H,11,12)/t6?,7-/m0/s1.
What are the key properties of 2-[[(3S)-piperidin-3-yl]sulfamoyl]propanoic acid?
2-[[(3S)-piperidin-3-yl]sulfamoyl]propanoic acid has a molecular weight of 236.29 g/mol, XLogP of -0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-piperidin-3-yl]sulfamoyl]propanoic acid is sourced from PubChem (CID 104982569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).