methyl N-[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]carbamate

C14H19ClN2O4S — CID 110823326

IUPACmethyl N-[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C14H19ClN2O4S/c1-21-14(18)16-12-6-8-17(9-7-12)22(19,20)10-11-4-2-3-5-13(11)15/h2-5,12H,6-10H2,1H3,(H,16,18)
InChIKeyLAIOBTWTHRUMNA-UHFFFAOYSA-N
MW346.84 g/mol
LogP1.99
Rot. Bonds4

About methyl N-[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]carbamate

methyl N-[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]carbamate (PubChem CID 110823326) has the molecular formula C14H19ClN2O4S and a molecular weight of 346.84 g/mol. Its IUPAC name is methyl N-[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]carbamate
PubChem CID110823326
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC Namemethyl N-[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C14H19ClN2O4S/c1-21-14(18)16-12-6-8-17(9-7-12)22(19,20)10-11-4-2-3-5-13(11)15/h2-5,12H,6-10H2,1H3,(H,16,18)
InChIKeyLAIOBTWTHRUMNA-UHFFFAOYSA-N
XLogP1.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chlorophenyl)methylsulfonyl]-N,N-dimethylpiperidin-4-amine
CID 110868589
1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine
CID 119959043
[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone
CID 110394038
N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 53283589
1-[(2-chlorophenyl)methylsulfonyl]-4-pyrrol-1-ylpiperidine
CID 110721356
1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine
CID 110749811
1-[(2-chlorophenyl)methylsulfonyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 92802369
(3S)-1-[(2-chlorophenyl)methylsulfonyl]-N-cyclohexylpiperidine-3-carboxamide
CID 92641525
(3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-cyclohexylpiperidine-3-carboxamide
CID 92641524
1-[(2-chlorophenyl)methylsulfonyl]-4,4-dimethylpiperidine
CID 110738679
1-[(2-chlorophenyl)methylsulfonyl]-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 30397743
1-[(2-chlorophenyl)methylsulfonyl]-3-methylsulfonylpyrrolidine
CID 72717812

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]carbamate?
The IUPAC name of methyl N-[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]carbamate (CID 110823326) is methyl N-[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]carbamate.
What is the SMILES notation for methyl N-[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]carbamate?
The canonical SMILES for methyl N-[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]carbamate is COC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1.
What is the InChIKey of methyl N-[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]carbamate?
The InChIKey is LAIOBTWTHRUMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4S/c1-21-14(18)16-12-6-8-17(9-7-12)22(19,20)10-11-4-2-3-5-13(11)15/h2-5,12H,6-10H2,1H3,(H,16,18).
What are the key properties of methyl N-[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]carbamate?
methyl N-[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]carbamate has a molecular weight of 346.84 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 110823326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).