N-methyl-N-[2-(N-methylanilino)ethyl]-1-(oxan-4-yl)methanesulfonamide

C16H26N2O3S — CID 71997608

IUPACN-methyl-N-[2-(N-methylanilino)ethyl]-1-(oxan-4-yl)methanesulfonamide
SMILESCN(CCN(C)S(=O)(=O)CC1CCOCC1)c1ccccc1
InChIInChI=1S/C16H26N2O3S/c1-17(16-6-4-3-5-7-16)10-11-18(2)22(19,20)14-15-8-12-21-13-9-15/h3-7,15H,8-14H2,1-2H3
InChIKeyGBGMSRUWGGWVBW-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.81
Rot. Bonds7

About N-methyl-N-[2-(N-methylanilino)ethyl]-1-(oxan-4-yl)methanesulfonamide

N-methyl-N-[2-(N-methylanilino)ethyl]-1-(oxan-4-yl)methanesulfonamide (PubChem CID 71997608) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-methyl-N-[2-(N-methylanilino)ethyl]-1-(oxan-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-(N-methylanilino)ethyl]-1-(oxan-4-yl)methanesulfonamide
PubChem CID71997608
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-methyl-N-[2-(N-methylanilino)ethyl]-1-(oxan-4-yl)methanesulfonamide
SMILESCN(CCN(C)S(=O)(=O)CC1CCOCC1)c1ccccc1
InChIInChI=1S/C16H26N2O3S/c1-17(16-6-4-3-5-7-16)10-11-18(2)22(19,20)14-15-8-12-21-13-9-15/h3-7,15H,8-14H2,1-2H3
InChIKeyGBGMSRUWGGWVBW-UHFFFAOYSA-N
XLogP1.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(N-methylanilino)ethyl]-1-(oxan-4-yl)methanesulfonamide?
The IUPAC name of N-methyl-N-[2-(N-methylanilino)ethyl]-1-(oxan-4-yl)methanesulfonamide (CID 71997608) is N-methyl-N-[2-(N-methylanilino)ethyl]-1-(oxan-4-yl)methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-(N-methylanilino)ethyl]-1-(oxan-4-yl)methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-(N-methylanilino)ethyl]-1-(oxan-4-yl)methanesulfonamide is CN(CCN(C)S(=O)(=O)CC1CCOCC1)c1ccccc1.
What is the InChIKey of N-methyl-N-[2-(N-methylanilino)ethyl]-1-(oxan-4-yl)methanesulfonamide?
The InChIKey is GBGMSRUWGGWVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-17(16-6-4-3-5-7-16)10-11-18(2)22(19,20)14-15-8-12-21-13-9-15/h3-7,15H,8-14H2,1-2H3.
What are the key properties of N-methyl-N-[2-(N-methylanilino)ethyl]-1-(oxan-4-yl)methanesulfonamide?
N-methyl-N-[2-(N-methylanilino)ethyl]-1-(oxan-4-yl)methanesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 1.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(N-methylanilino)ethyl]-1-(oxan-4-yl)methanesulfonamide is sourced from PubChem (CID 71997608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).