methyl 2-(2-fluorophenyl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetate

C15H22FN3O4S — CID 119050825

IUPACmethyl 2-(2-fluorophenyl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetate
SMILESCNS(=O)(=O)NC1CCN(C(C(=O)OC)c2ccccc2F)CC1
InChIInChI=1S/C15H22FN3O4S/c1-17-24(21,22)18-11-7-9-19(10-8-11)14(15(20)23-2)12-5-3-4-6-13(12)16/h3-6,11,14,17-18H,7-10H2,1-2H3
InChIKeyHCNIWKDKFLYWIO-UHFFFAOYSA-N
MW359.42 g/mol
LogP0.56
Rot. Bonds6

About methyl 2-(2-fluorophenyl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetate

methyl 2-(2-fluorophenyl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetate (PubChem CID 119050825) has the molecular formula C15H22FN3O4S and a molecular weight of 359.42 g/mol. Its IUPAC name is methyl 2-(2-fluorophenyl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-(2-fluorophenyl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetate
PubChem CID119050825
Molecular FormulaC15H22FN3O4S
Molecular Weight359.42 g/mol
Exact Mass359.13
IUPAC Namemethyl 2-(2-fluorophenyl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetate
SMILESCNS(=O)(=O)NC1CCN(C(C(=O)OC)c2ccccc2F)CC1
InChIInChI=1S/C15H22FN3O4S/c1-17-24(21,22)18-11-7-9-19(10-8-11)14(15(20)23-2)12-5-3-4-6-13(12)16/h3-6,11,14,17-18H,7-10H2,1-2H3
InChIKeyHCNIWKDKFLYWIO-UHFFFAOYSA-N
XLogP0.56
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-2-(2-fluorophenyl)acetate
CID 95899793
methyl (2R)-2-(2-fluorophenyl)-2-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate
CID 99847607
methyl 2-(2-chlorophenyl)-2-(4-sulfanylpiperidin-1-yl)acetate;hydrochloride
CID 23000853
(2Z)-2-[4-(2-aminoethyldisulfanyl)-1-[1-(2-fluorophenyl)-2-methoxy-2-oxoethyl]piperidin-3-ylidene]acetic acid
CID 118565531
(2R)-2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-2-phenylacetamide
CID 37222509
methyl (2S)-2-(2-fluorophenyl)-2-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetate
CID 97101368
methyl 2-(2-bromophenyl)-2-pyrrolidin-1-ylacetate
CID 116860558
3-[4-[[1-[1-(2-fluorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]triazol-1-yl]propanoic acid
CID 72798345
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
methyl (2S)-2-(2-methylphenyl)-2-[4-(triazol-1-yl)piperidin-1-yl]acetate
CID 99716799
N-[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide
CID 87015324
ethyl 3-[3-[[(4R)-1-[1-(2-fluorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]pyrazol-1-yl]propanoate
CID 91296521

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluorophenyl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetate?
The IUPAC name of methyl 2-(2-fluorophenyl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetate (CID 119050825) is methyl 2-(2-fluorophenyl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-(2-fluorophenyl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetate?
The canonical SMILES for methyl 2-(2-fluorophenyl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetate is CNS(=O)(=O)NC1CCN(C(C(=O)OC)c2ccccc2F)CC1.
What is the InChIKey of methyl 2-(2-fluorophenyl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetate?
The InChIKey is HCNIWKDKFLYWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O4S/c1-17-24(21,22)18-11-7-9-19(10-8-11)14(15(20)23-2)12-5-3-4-6-13(12)16/h3-6,11,14,17-18H,7-10H2,1-2H3.
What are the key properties of methyl 2-(2-fluorophenyl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetate?
methyl 2-(2-fluorophenyl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetate has a molecular weight of 359.42 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluorophenyl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetate is sourced from PubChem (CID 119050825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).