ethyl N-[1-[(4-methylphenyl)methylsulfonyl]piperidin-4-yl]carbamate

C16H24N2O4S — CID 110823319

IUPACethyl N-[1-[(4-methylphenyl)methylsulfonyl]piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1
InChIInChI=1S/C16H24N2O4S/c1-3-22-16(19)17-15-8-10-18(11-9-15)23(20,21)12-14-6-4-13(2)5-7-14/h4-7,15H,3,8-12H2,1-2H3,(H,17,19)
InChIKeyJVKOOLTVVXAKLX-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.04
Rot. Bonds5

About ethyl N-[1-[(4-methylphenyl)methylsulfonyl]piperidin-4-yl]carbamate

ethyl N-[1-[(4-methylphenyl)methylsulfonyl]piperidin-4-yl]carbamate (PubChem CID 110823319) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is ethyl N-[1-[(4-methylphenyl)methylsulfonyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[(4-methylphenyl)methylsulfonyl]piperidin-4-yl]carbamate
PubChem CID110823319
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Nameethyl N-[1-[(4-methylphenyl)methylsulfonyl]piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1
InChIInChI=1S/C16H24N2O4S/c1-3-22-16(19)17-15-8-10-18(11-9-15)23(20,21)12-14-6-4-13(2)5-7-14/h4-7,15H,3,8-12H2,1-2H3,(H,17,19)
InChIKeyJVKOOLTVVXAKLX-UHFFFAOYSA-N
XLogP2.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]acetamide
CID 49458586
tert-butyl N-[1-[(4-methylphenyl)methylsulfonyl]piperidin-3-yl]carbamate
CID 71634480
tert-butyl N-[(3R)-1-[(4-methylphenyl)methylsulfonyl]piperidin-3-yl]carbamate
CID 97176433
ethyl 1-[(4-methylphenyl)methylsulfonyl]piperidine-3-carboxylate
CID 110756011
benzyl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate
CID 162415610
2-(4-aminophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide;hydrochloride
CID 119702884
N-[(2S)-3-methylbutan-2-yl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 100568345
N-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 108562226
ethyl N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]carbamate
CID 110823231
ethyl 2-chloro-4-[[1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate
CID 28566732
ethyl N-(1-methylpiperidin-4-yl)carbamate
CID 58960911
3-methyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine
CID 110749809

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[(4-methylphenyl)methylsulfonyl]piperidin-4-yl]carbamate?
The IUPAC name of ethyl N-[1-[(4-methylphenyl)methylsulfonyl]piperidin-4-yl]carbamate (CID 110823319) is ethyl N-[1-[(4-methylphenyl)methylsulfonyl]piperidin-4-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[(4-methylphenyl)methylsulfonyl]piperidin-4-yl]carbamate?
The canonical SMILES for ethyl N-[1-[(4-methylphenyl)methylsulfonyl]piperidin-4-yl]carbamate is CCOC(=O)NC1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1.
What is the InChIKey of ethyl N-[1-[(4-methylphenyl)methylsulfonyl]piperidin-4-yl]carbamate?
The InChIKey is JVKOOLTVVXAKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-22-16(19)17-15-8-10-18(11-9-15)23(20,21)12-14-6-4-13(2)5-7-14/h4-7,15H,3,8-12H2,1-2H3,(H,17,19).
What are the key properties of ethyl N-[1-[(4-methylphenyl)methylsulfonyl]piperidin-4-yl]carbamate?
ethyl N-[1-[(4-methylphenyl)methylsulfonyl]piperidin-4-yl]carbamate has a molecular weight of 340.45 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[(4-methylphenyl)methylsulfonyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 110823319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).