N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-N-methylmethanesulfonamide

C15H22Cl2N2O2S — CID 46244927

IUPACN-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-N-methylmethanesulfonamide
SMILESCN(CC[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1)S(C)(=O)=O
InChIInChI=1S/C15H22Cl2N2O2S/c1-19(22(2,20)21)9-7-15(6-3-8-18-11-15)12-4-5-13(16)14(17)10-12/h4-5,10,18H,3,6-9,11H2,1-2H3/t15-/m1/s1
InChIKeyAYAJZPORJGGIGN-OAHLLOKOSA-N
MW365.33 g/mol
LogP2.90
Rot. Bonds5

About N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-N-methylmethanesulfonamide

N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-N-methylmethanesulfonamide (PubChem CID 46244927) has the molecular formula C15H22Cl2N2O2S and a molecular weight of 365.33 g/mol. Its IUPAC name is N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-N-methylmethanesulfonamide
PubChem CID46244927
Molecular FormulaC15H22Cl2N2O2S
Molecular Weight365.33 g/mol
Exact Mass364.08
IUPAC NameN-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-N-methylmethanesulfonamide
SMILESCN(CC[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1)S(C)(=O)=O
InChIInChI=1S/C15H22Cl2N2O2S/c1-19(22(2,20)21)9-7-15(6-3-8-18-11-15)12-4-5-13(16)14(17)10-12/h4-5,10,18H,3,6-9,11H2,1-2H3/t15-/m1/s1
InChIKeyAYAJZPORJGGIGN-OAHLLOKOSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-N-methylmethanesulfonamide (CID 46244927) is N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-N-methylmethanesulfonamide is CN(CC[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1)S(C)(=O)=O.
What is the InChIKey of N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-N-methylmethanesulfonamide?
The InChIKey is AYAJZPORJGGIGN-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2S/c1-19(22(2,20)21)9-7-15(6-3-8-18-11-15)12-4-5-13(16)14(17)10-12/h4-5,10,18H,3,6-9,11H2,1-2H3/t15-/m1/s1.
What are the key properties of N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-N-methylmethanesulfonamide?
N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-N-methylmethanesulfonamide has a molecular weight of 365.33 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 46244927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).