4-(methanesulfonamido)piperidine-1-carboxylic acid

C7H14N2O4S — CID 90906463

IUPAC4-(methanesulfonamido)piperidine-1-carboxylic acid
SMILESCS(=O)(=O)NC1CCN(C(=O)O)CC1
InChIInChI=1S/C7H14N2O4S/c1-14(12,13)8-6-2-4-9(5-3-6)7(10)11/h6,8H,2-5H2,1H3,(H,10,11)
InChIKeyHHEPTRCSBLYPFS-UHFFFAOYSA-N
MW222.27 g/mol
LogP-0.32
Rot. Bonds2

About 4-(methanesulfonamido)piperidine-1-carboxylic acid

4-(methanesulfonamido)piperidine-1-carboxylic acid (PubChem CID 90906463) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is 4-(methanesulfonamido)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(methanesulfonamido)piperidine-1-carboxylic acid
PubChem CID90906463
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name4-(methanesulfonamido)piperidine-1-carboxylic acid
SMILESCS(=O)(=O)NC1CCN(C(=O)O)CC1
InChIInChI=1S/C7H14N2O4S/c1-14(12,13)8-6-2-4-9(5-3-6)7(10)11/h6,8H,2-5H2,1H3,(H,10,11)
InChIKeyHHEPTRCSBLYPFS-UHFFFAOYSA-N
XLogP-0.32
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)piperidine-1-carboxylic acid?
The IUPAC name of 4-(methanesulfonamido)piperidine-1-carboxylic acid (CID 90906463) is 4-(methanesulfonamido)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(methanesulfonamido)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(methanesulfonamido)piperidine-1-carboxylic acid is CS(=O)(=O)NC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(methanesulfonamido)piperidine-1-carboxylic acid?
The InChIKey is HHEPTRCSBLYPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c1-14(12,13)8-6-2-4-9(5-3-6)7(10)11/h6,8H,2-5H2,1H3,(H,10,11).
What are the key properties of 4-(methanesulfonamido)piperidine-1-carboxylic acid?
4-(methanesulfonamido)piperidine-1-carboxylic acid has a molecular weight of 222.27 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)piperidine-1-carboxylic acid is sourced from PubChem (CID 90906463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).