N-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide

C17H18N2O3S — CID 97217869

IUPACN-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESC[C@H](c1ccc2ccccc2c1)N(C)S(=O)(=O)Cc1ccon1
InChIInChI=1S/C17H18N2O3S/c1-13(15-8-7-14-5-3-4-6-16(14)11-15)19(2)23(20,21)12-17-9-10-22-18-17/h3-11,13H,12H2,1-2H3/t13-/m1/s1
InChIKeyHYIRASFORZDNHD-CYBMUJFWSA-N
MW330.41 g/mol
LogP3.35
Rot. Bonds5

About N-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide

N-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 97217869) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
PubChem CID97217869
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESC[C@H](c1ccc2ccccc2c1)N(C)S(=O)(=O)Cc1ccon1
InChIInChI=1S/C17H18N2O3S/c1-13(15-8-7-14-5-3-4-6-16(14)11-15)19(2)23(20,21)12-17-9-10-22-18-17/h3-11,13H,12H2,1-2H3/t13-/m1/s1
InChIKeyHYIRASFORZDNHD-CYBMUJFWSA-N
XLogP3.35
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-naphthalen-2-yl-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 79501678
N-chloro-N-methyl-1-naphthalen-2-ylethanamine
CID 135010068
N-methyl-N-(1-naphthalen-2-ylethyl)hydroxylamine
CID 134925805
2-methyl-3-[methyl(1-naphthalen-2-ylethyl)amino]propanoic acid
CID 65072356
(1S)-N-diethylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine
CID 72701934
2-[2-amino-1-(dimethylsulfamoylamino)ethyl]naphthalene
CID 120584363
3-[1-naphthalen-2-ylethyl(propan-2-yl)amino]propanoic acid
CID 65057412
2-[tert-butyl(1-naphthalen-2-ylethyl)amino]acetic acid
CID 79263498
ethane;2-propan-2-ylnaphthalene
CID 142226111
(2-methylphenyl) 1,2-oxazol-3-ylmethanesulfonate
CID 56806995
N-[2-(1-naphthalen-2-ylethylamino)ethyl]methanesulfonamide
CID 43208132
2-(2,2-dimethylhydrazinyl)-1-naphthalen-2-ylethanol
CID 83014779

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide (CID 97217869) is N-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide is C[C@H](c1ccc2ccccc2c1)N(C)S(=O)(=O)Cc1ccon1.
What is the InChIKey of N-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is HYIRASFORZDNHD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-13(15-8-7-14-5-3-4-6-16(14)11-15)19(2)23(20,21)12-17-9-10-22-18-17/h3-11,13H,12H2,1-2H3/t13-/m1/s1.
What are the key properties of N-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
N-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 97217869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).