N-[2-(dimethylamino)ethyl]-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide

C18H31N3O4S2 — CID 24732440

IUPACN-[2-(dimethylamino)ethyl]-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide
SMILESCN(C)CCN(C1CCN(Cc2ccccc2S(C)(=O)=O)CC1)S(C)(=O)=O
InChIInChI=1S/C18H31N3O4S2/c1-19(2)13-14-21(27(4,24)25)17-9-11-20(12-10-17)15-16-7-5-6-8-18(16)26(3,22)23/h5-8,17H,9-15H2,1-4H3
InChIKeyHNZMEXXSGBLILZ-UHFFFAOYSA-N
MW417.60 g/mol
LogP0.88
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide

N-[2-(dimethylamino)ethyl]-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide (PubChem CID 24732440) has the molecular formula C18H31N3O4S2 and a molecular weight of 417.60 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide
PubChem CID24732440
Molecular FormulaC18H31N3O4S2
Molecular Weight417.60 g/mol
Exact Mass417.18
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide
SMILESCN(C)CCN(C1CCN(Cc2ccccc2S(C)(=O)=O)CC1)S(C)(=O)=O
InChIInChI=1S/C18H31N3O4S2/c1-19(2)13-14-21(27(4,24)25)17-9-11-20(12-10-17)15-16-7-5-6-8-18(16)26(3,22)23/h5-8,17H,9-15H2,1-4H3
InChIKeyHNZMEXXSGBLILZ-UHFFFAOYSA-N
XLogP0.88
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.60
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide (CID 24732440) is N-[2-(dimethylamino)ethyl]-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide is CN(C)CCN(C1CCN(Cc2ccccc2S(C)(=O)=O)CC1)S(C)(=O)=O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is HNZMEXXSGBLILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O4S2/c1-19(2)13-14-21(27(4,24)25)17-9-11-20(12-10-17)15-16-7-5-6-8-18(16)26(3,22)23/h5-8,17H,9-15H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide?
N-[2-(dimethylamino)ethyl]-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 417.60 g/mol, XLogP of 0.88, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 24732440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).