4-[(piperidin-1-ylsulfonylamino)methyl]oxane-4-carboxylic acid

C12H22N2O5S — CID 115438600

IUPAC4-[(piperidin-1-ylsulfonylamino)methyl]oxane-4-carboxylic acid
SMILESO=C(O)C1(CNS(=O)(=O)N2CCCCC2)CCOCC1
InChIInChI=1S/C12H22N2O5S/c15-11(16)12(4-8-19-9-5-12)10-13-20(17,18)14-6-2-1-3-7-14/h13H,1-10H2,(H,15,16)
InChIKeyZYPWXCQLDLMXQP-UHFFFAOYSA-N
MW306.38 g/mol
LogP0.19
Rot. Bonds5

About 4-[(piperidin-1-ylsulfonylamino)methyl]oxane-4-carboxylic acid

4-[(piperidin-1-ylsulfonylamino)methyl]oxane-4-carboxylic acid (PubChem CID 115438600) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is 4-[(piperidin-1-ylsulfonylamino)methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(piperidin-1-ylsulfonylamino)methyl]oxane-4-carboxylic acid
PubChem CID115438600
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Name4-[(piperidin-1-ylsulfonylamino)methyl]oxane-4-carboxylic acid
SMILESO=C(O)C1(CNS(=O)(=O)N2CCCCC2)CCOCC1
InChIInChI=1S/C12H22N2O5S/c15-11(16)12(4-8-19-9-5-12)10-13-20(17,18)14-6-2-1-3-7-14/h13H,1-10H2,(H,15,16)
InChIKeyZYPWXCQLDLMXQP-UHFFFAOYSA-N
XLogP0.19
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(azepan-1-ylsulfonylamino)methyl]cyclopropane-1-carboxylic acid
CID 113312118
1-[(piperidin-1-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309107
N-[(4-hydroxyoxan-4-yl)methyl]azepane-1-sulfonamide
CID 81130828
3-[[(4,4-difluoropiperidin-1-yl)sulfonylamino]methyl]oxane-3-carboxylic acid
CID 166264552
N-[[1-(hydroxymethyl)cyclopentyl]methyl]azepane-1-sulfonamide
CID 115362877
4-(azocan-1-ylmethyl)oxane-4-carboxylic acid
CID 62392737
4-[(cyclopropylmethylsulfonylamino)methyl]oxane-4-carboxylic acid
CID 115438630
N-[(3-hydroxyoxolan-3-yl)methyl]morpholine-4-sulfonamide
CID 103848126
N-[(1-aminocyclohexyl)methyl]morpholine-4-sulfonamide;hydrochloride
CID 119958830
4-[(propan-2-ylamino)methyl]oxane-4-carboxylic acid
CID 84670127
4-[[(1-aminocyclohexanecarbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115439913
4-[(morpholine-4-carbonylamino)methyl]oxane-4-carboxylic acid
CID 113310020

Frequently Asked Questions

What is the IUPAC name of 4-[(piperidin-1-ylsulfonylamino)methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[(piperidin-1-ylsulfonylamino)methyl]oxane-4-carboxylic acid (CID 115438600) is 4-[(piperidin-1-ylsulfonylamino)methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(piperidin-1-ylsulfonylamino)methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(piperidin-1-ylsulfonylamino)methyl]oxane-4-carboxylic acid is O=C(O)C1(CNS(=O)(=O)N2CCCCC2)CCOCC1.
What is the InChIKey of 4-[(piperidin-1-ylsulfonylamino)methyl]oxane-4-carboxylic acid?
The InChIKey is ZYPWXCQLDLMXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c15-11(16)12(4-8-19-9-5-12)10-13-20(17,18)14-6-2-1-3-7-14/h13H,1-10H2,(H,15,16).
What are the key properties of 4-[(piperidin-1-ylsulfonylamino)methyl]oxane-4-carboxylic acid?
4-[(piperidin-1-ylsulfonylamino)methyl]oxane-4-carboxylic acid has a molecular weight of 306.38 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(piperidin-1-ylsulfonylamino)methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 115438600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).