N-[[(3R)-1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide

C15H23ClN2O2S — CID 100838903

IUPACN-[[(3R)-1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESC[C@H](c1ccc(Cl)cc1)N1CCC[C@@H](CNS(C)(=O)=O)C1
InChIInChI=1S/C15H23ClN2O2S/c1-12(14-5-7-15(16)8-6-14)18-9-3-4-13(11-18)10-17-21(2,19)20/h5-8,12-13,17H,3-4,9-11H2,1-2H3/t12-,13+/m1/s1
InChIKeyTYYCKCMLYDJANN-OLZOCXBDSA-N
MW330.88 g/mol
LogP2.66
Rot. Bonds5

About N-[[(3R)-1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide

N-[[(3R)-1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 100838903) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is N-[[(3R)-1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID100838903
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC NameN-[[(3R)-1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESC[C@H](c1ccc(Cl)cc1)N1CCC[C@@H](CNS(C)(=O)=O)C1
InChIInChI=1S/C15H23ClN2O2S/c1-12(14-5-7-15(16)8-6-14)18-9-3-4-13(11-18)10-17-21(2,19)20/h5-8,12-13,17H,3-4,9-11H2,1-2H3/t12-,13+/m1/s1
InChIKeyTYYCKCMLYDJANN-OLZOCXBDSA-N
XLogP2.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100838899
N-[[(3R)-1-[(1R)-1-(3-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100838908
N-[[1-[1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 63240956
N-methyl-1-[1-[1-(4-propan-2-ylphenyl)ethyl]piperidin-3-yl]methanamine
CID 61204878
1-[1-(4-chlorophenyl)ethyl]piperidin-3-amine
CID 61297742
(3S)-1-[(1S)-1-(2-chlorophenyl)ethyl]-3-[(sulfamoylamino)methyl]piperidine
CID 95339246
(2S)-2-[(3S)-3-(methanesulfonamidomethyl)piperidin-1-yl]-2-phenylacetamide
CID 94446876
N-methyl-1-[1-(1-phenylethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119914413
N-methyl-1-[1-[1-(4-nitrophenyl)ethyl]piperidin-3-yl]methanamine
CID 61205255
1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917726
N-[[(3S)-1-[(1S)-1-(4-bromophenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 100848930
(3R)-3-(ethoxymethyl)-1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]piperidine
CID 124619658

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3R)-1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide (CID 100838903) is N-[[(3R)-1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3R)-1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3R)-1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide is C[C@H](c1ccc(Cl)cc1)N1CCC[C@@H](CNS(C)(=O)=O)C1.
What is the InChIKey of N-[[(3R)-1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is TYYCKCMLYDJANN-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-12(14-5-7-15(16)8-6-14)18-9-3-4-13(11-18)10-17-21(2,19)20/h5-8,12-13,17H,3-4,9-11H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of N-[[(3R)-1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[(3R)-1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 330.88 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 100838903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).