ethyl N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]carbamate

C15H21FN2O4S — CID 110823231

IUPACethyl N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(S(=O)(=O)c2ccc(F)c(C)c2)CC1
InChIInChI=1S/C15H21FN2O4S/c1-3-22-15(19)17-12-6-8-18(9-7-12)23(20,21)13-4-5-14(16)11(2)10-13/h4-5,10,12H,3,6-9H2,1-2H3,(H,17,19)
InChIKeyWAYQQVLLRVSMPT-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.03
Rot. Bonds4

About ethyl N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]carbamate

ethyl N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]carbamate (PubChem CID 110823231) has the molecular formula C15H21FN2O4S and a molecular weight of 344.41 g/mol. Its IUPAC name is ethyl N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]carbamate
PubChem CID110823231
Molecular FormulaC15H21FN2O4S
Molecular Weight344.41 g/mol
Exact Mass344.12
IUPAC Nameethyl N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(S(=O)(=O)c2ccc(F)c(C)c2)CC1
InChIInChI=1S/C15H21FN2O4S/c1-3-22-15(19)17-12-6-8-18(9-7-12)23(20,21)13-4-5-14(16)11(2)10-13/h4-5,10,12H,3,6-9H2,1-2H3,(H,17,19)
InChIKeyWAYQQVLLRVSMPT-UHFFFAOYSA-N
XLogP2.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 110726948
1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978268
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide
CID 39661741
1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 110868573
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide
CID 108560371
methyl 4-(4-fluoro-3-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818499
methyl N-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbamate
CID 110823359
1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 155823226
2-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]sulfonylbenzoic acid
CID 71060123
benzyl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate
CID 162415610
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(2-ethoxyphenoxy)acetamide
CID 108560702
[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 113003143

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]carbamate?
The IUPAC name of ethyl N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]carbamate (CID 110823231) is ethyl N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]carbamate?
The canonical SMILES for ethyl N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]carbamate is CCOC(=O)NC1CCN(S(=O)(=O)c2ccc(F)c(C)c2)CC1.
What is the InChIKey of ethyl N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]carbamate?
The InChIKey is WAYQQVLLRVSMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O4S/c1-3-22-15(19)17-12-6-8-18(9-7-12)23(20,21)13-4-5-14(16)11(2)10-13/h4-5,10,12H,3,6-9H2,1-2H3,(H,17,19).
What are the key properties of ethyl N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]carbamate?
ethyl N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]carbamate has a molecular weight of 344.41 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]carbamate is sourced from PubChem (CID 110823231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).